Glycoside
...
GD143403

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

Formula:
C82H134O44

Smiles:
CC1OC(OC2C(CO)OC(OCC3OC(OC4C(O)C(C)OC(OC5C(CO)OC(OCC6OC(OC(=O)C78CCC(C)(C)CC7C7=CCC9C%10(C)CCC(OC%11OCC(O)C(O)C%11OC%11OC(C)C(O)C(OC%12OCC(O)C(O)C%12O)C%11O)C(C)(CO)C%10CCC9(C)C7(C)CC8)C(O)C(O)C6O)C(O)C5O)C4O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(OC4C(O)C(C)OC(OC5C(CO)OC(OCC6OC(O)C(O)C(O)C6O)C(O)C5O)C4O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)OCC(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 44 RingCount: 14
HBD: 25 FractionCSP3: 0.96
AlogP: -9.58 Num_rotatable_bonds: 23
MolWt: 1823.93 Num_heavy_atoms: 126
TPSA: 688.96 NumAromaticRings: 0

Unique Aglycone
AD00356
Formula: C30H48O4

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.21 Num_rotatable_bonds: 2
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD08957

CC1OC(OC2C(CO)OC(OCC3OC(OC4C(O)C(C)OC(OC5C(CO)OC(OCC6OC(O)C(O)C(O)C6O)C(O)C5O)C4O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)OCC(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O