Glycoside
...
GD128673

Name:
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 11-hydroxy-5a,5b,8,8,11a-pentamethyl-9,12-dioxo-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate

Formula:
C48H74O19

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)CCC3(C)C(CC(=O)C4C5(C)C(O)CC(=O)C(C)(C)C5CCC43C)C12

Aglycone:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CC(=O)C4C5(C)C(O)CC(=O)C(C)(C)C5CCC43C)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: 10 FractionCSP3: 0.9
AlogP: -0.62 Num_rotatable_bonds: 9
MolWt: 955.1 Num_heavy_atoms: 67
TPSA: 308.89 NumAromaticRings: 0

Unique Aglycone
AD52121
Formula: C30H44O5

Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CC(=O)C4C5(C)C(O)CC(=O)C(C)(C)C5CCC43C)C12
HBA: 5 RingCount: 5
HBD: 2 FractionCSP3: 0.83
AlogP: 5.45 Num_rotatable_bonds: 2
MolWt: 484.68 Num_heavy_atoms: 35
TPSA: 91.67 NumAromaticRings: 0

Sugarmoiety
SD00047

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