Glycoside
...
GD128620

Name:
3a-({[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}carbonyl)-9-hydroxy-5,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-8-carboxylic acid

Formula:
C48H76O19

Smiles:
C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CC(C)C3C(CCC4C3(C)CCC3C4(C)CCC(O)C3(C)C(=O)O)C12

Aglycone:
C=C(C)C1CCC2(C(=O)O)CC(C)C3C(CCC4C3(C)CCC3C4(C)CCC(O)C3(C)C(=O)O)C12

Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 11 FractionCSP3: 0.92
AlogP: -0.06 Num_rotatable_bonds: 10
MolWt: 957.12 Num_heavy_atoms: 67
TPSA: 312.05 NumAromaticRings: 0

Unique Aglycone
AD52101
Formula: C30H46O5

Smiles:
C=C(C)C1CCC2(C(=O)O)CC(C)C3C(CCC4C3(C)CCC3C4(C)CCC(O)C3(C)C(=O)O)C12
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 6.01 Num_rotatable_bonds: 3
MolWt: 486.69 Num_heavy_atoms: 35
TPSA: 94.83 NumAromaticRings: 0

Sugarmoiety
SD00047

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O