Glycoside
...
GD144355

Name:
6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 10-{[3-({4-[(5-{[5-({4-[(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-5-hydroxy-3-{[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}-6-(hydroxymethyl)oxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl)oxy]-3,5-dihydroxy-6-methyloxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:
C110H172O61

Smiles:
COc1ccc(C=CC(=O)OC2C(OC3C(CO)OC(OC4COC(OC5C(O)C(C)OC(OC6C(OC7CCC8(C)C(CCC9(C)C8CC=C8C%10CC(C)(C)CCC%10(C(=O)OC%10OC(COC%11OC(CO)C(OC%12OC(C)C(O)C(O)C%12O)C(O)C%11O)C(O)C(O)C%10O)CCC89C)C7(C)C)OCC(O)C6O)C5O)C(O)C4O)C(O)C3O)OC(CO)C(O)C2OC2OC(COC3OC(C)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)cc1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.COc1ccc(C=CC(=O)O)cc1O

Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.CC1OC(OCC2OC(OC3C(O)C(CO)OC(OC4C(CO)OC(OC5COC(OC6C(O)C(C)OC(OC7C(O)OCC(O)C7O)C6O)C(O)C5O)C(O)C4O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 61 RingCount: 18
HBD: 33 FractionCSP3: 0.89
AlogP: -13.1 Num_rotatable_bonds: 35
MolWt: 2470.52 Num_heavy_atoms: 171
TPSA: 941.71 NumAromaticRings: 1

Unique Aglycone
AD00086
Formula: C30H48O3

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 7.23 Num_rotatable_bonds: 1
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0
AD12114
Formula: C10H10O4

Smiles:
COc1ccc(C=CC(=O)O)cc1O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.5 Num_rotatable_bonds: 3
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 66.76 NumAromaticRings: 1

Sugarmoiety
SD09088

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.CC1OC(OCC2OC(OC3C(O)C(CO)OC(OC4C(CO)OC(OC5COC(OC6C(O)C(C)OC(OC7C(O)OCC(O)C7O)C6O)C(O)C5O)C(O)C4O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O