Glycoside
...
GD134660

Name:
5-[(4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,4-dihydroxyoxan-2-yl 3-{[6-({3,4-dihydroxy-5-[(6-hydroxy-2,6-dimethyloct-7-enoyl)oxy]-6-methyloxan-2-yl}oxy)-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl]oxy}-10-[(5-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-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:
C96H154O45

Smiles:
C=CC(C)(O)CCCC(C)C(=O)OC1C(C)OC(OC(C)(C=C)CCC=C(CO)C(=O)OC2CC3(C(=O)OC4OCC(OC5OC(CO)C(O)C(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)C5O)C(O)C4O)CCC4(C)C(=CCC5C6(C)CCC(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8O)C(O)C7O)C(C)(C)C6CCC54C)C3CC2(C)C)C(O)C1O

Aglycone:
C=CC(C)(O)CCC=C(CO)C(=O)OC1CC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C.C=CC(C)(O)CCCC(C)C(=O)O

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(CO)OC(OC3C(O)C(CO)OC(OC4COC(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 45 RingCount: 13
HBD: 24 FractionCSP3: 0.89
AlogP: -4.95 Num_rotatable_bonds: 34
MolWt: 2028.24 Num_heavy_atoms: 141
TPSA: 702.87 NumAromaticRings: 0

Unique Aglycone
AD45913
Formula: C40H62O7

Smiles:
C=CC(C)(O)CCC=C(CO)C(=O)OC1CC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C
HBA: 7 RingCount: 5
HBD: 4 FractionCSP3: 0.8
AlogP: 7.39 Num_rotatable_bonds: 8
MolWt: 654.93 Num_heavy_atoms: 47
TPSA: 124.29 NumAromaticRings: 0
AD54469
Formula: C10H18O3

Smiles:
C=CC(C)(O)CCCC(C)C(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.7
AlogP: 1.81 Num_rotatable_bonds: 6
MolWt: 186.25 Num_heavy_atoms: 13
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD07831

CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(CO)OC(OC3C(O)C(CO)OC(OC4COC(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O