Glycoside
...
GD130785

Name:
10-({3-[(4-{[5-(acetyloxy)-3,4-dihydroxyoxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)-9-[(acetyloxy)methyl]-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-carboxylic acid

Formula:
C50H78O18

Smiles:
CC(=O)OCC1(C)C(OC2OCC(O)C(O)C2OC2OC(C)C(O)C(OC3OCC(OC(C)=O)C(O)C3O)C2O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21C

Aglycone:
CC(=O)OCC1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21C

Sugarmoiety:
CC(=O)OC1COC(OC2C(O)C(C)OC(OC3C(O)OCC(O)C3O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 7 FractionCSP3: 0.9
AlogP: 3.13 Num_rotatable_bonds: 10
MolWt: 967.16 Num_heavy_atoms: 68
TPSA: 266.66 NumAromaticRings: 0

Unique Aglycone
AD14087
Formula: C32H50O5

Smiles:
CC(=O)OCC1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21C
HBA: 5 RingCount: 5
HBD: 2 FractionCSP3: 0.88
AlogP: 6.78 Num_rotatable_bonds: 3
MolWt: 514.75 Num_heavy_atoms: 37
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD02687

CC(=O)OC1COC(OC2C(O)C(C)OC(OC3C(O)OCC(O)C3O)C2O)C(O)C1O