Glycoside
...
GD116923

Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-10-(3,4,5-trihydroxybenzoyloxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:
C43H62O15

Smiles:
CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC(=O)c6cc(O)c(O)c(O)c6)C(C)(CO)C5CCC43C)C2C1(C)O

Aglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC(=O)c6cc(O)c(O)c(O)c6)C(C)(CO)C5CCC43C)C2C1(C)O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 10 FractionCSP3: 0.77
AlogP: 2.39 Num_rotatable_bonds: 6
MolWt: 818.95 Num_heavy_atoms: 58
TPSA: 264.13 NumAromaticRings: 1

Unique Aglycone
AD46530
Formula: C37H52O10

Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC(=O)c6cc(O)c(O)c(O)c6)C(C)(CO)C5CCC43C)C2C1(C)O
HBA: 10 RingCount: 6
HBD: 7 FractionCSP3: 0.73
AlogP: 5.13 Num_rotatable_bonds: 4
MolWt: 656.81 Num_heavy_atoms: 47
TPSA: 184.98 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O