Glycoside
...
GD143504

Name:
2-hydroxy-1-(2-hydroxy-6-methyl-3-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl)-3a,6,6,9b,11a-pentamethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-dione

Formula:
C42H64O17

Smiles:
CC(C)(CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC12C)OC1OC(CO)C(O)C(O)C1O

Aglycone:
CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C

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

Other Identifiers

Properties
HBA: 17 RingCount: 6
HBD: 10 FractionCSP3: 0.83
AlogP: -1.07 Num_rotatable_bonds: 11
MolWt: 840.96 Num_heavy_atoms: 59
TPSA: 290.43 NumAromaticRings: 0

Unique Aglycone
AD13503
Formula: C30H44O7

Smiles:
CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C
HBA: 7 RingCount: 4
HBD: 4 FractionCSP3: 0.77
AlogP: 3.84 Num_rotatable_bonds: 5
MolWt: 516.68 Num_heavy_atoms: 37
TPSA: 132.13 NumAromaticRings: 0

Sugarmoiety
SD00019

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