Glycoside
...
GD129219

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

Formula:
C43H62O14

Smiles:
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(COC(=O)c6cc(O)c(O)c(O)c6)C5CCC43C)C2C1

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(COC(=O)c6cc(O)c(O)c(O)c6)C5CCC43C)C2C1

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

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 9 FractionCSP3: 0.77
AlogP: 3.42 Num_rotatable_bonds: 6
MolWt: 802.96 Num_heavy_atoms: 57
TPSA: 243.9 NumAromaticRings: 1

Unique Aglycone
AD52349
Formula: C37H52O9

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(COC(=O)c6cc(O)c(O)c(O)c6)C5CCC43C)C2C1
HBA: 9 RingCount: 6
HBD: 6 FractionCSP3: 0.73
AlogP: 6.16 Num_rotatable_bonds: 4
MolWt: 640.81 Num_heavy_atoms: 46
TPSA: 164.75 NumAromaticRings: 1

Sugarmoiety
SD00003

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