Glycoside
...
GD121287

Name:
10-[(3-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-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:
C47H76O18

Smiles:
CC1C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21C

Aglycone:
CC1C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21C

Sugarmoiety:
OCC1OC(OC2C(CO)OC(OC3C(O)OC(CO)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 11 FractionCSP3: 0.94
AlogP: 0.32 Num_rotatable_bonds: 10
MolWt: 929.11 Num_heavy_atoms: 65
TPSA: 294.98 NumAromaticRings: 0

Unique Aglycone
AD44910
Formula: C29H46O3

Smiles:
CC1C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21C
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 6.84 Num_rotatable_bonds: 1
MolWt: 442.68 Num_heavy_atoms: 32
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD05789

OCC1OC(OC2C(CO)OC(OC3C(O)OC(CO)C(O)C3O)C(O)C2O)C(O)C(O)C1O