Glycoside
...
GD121366

Name:
2-(7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl)-5-hydroxy-6-methyl-5-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)heptanoic acid

Formula:
C46H74O19

Smiles:
CC(C)C(O)(CCC(C(=O)O)C1CCC2C3=CCC4CC(OC5OC(CO)C(O)C(O)C5OC5OCC(O)C(O)C5O)CCC4(C)C3=CCC21C)C(C)OC1OC(CO)C(O)C(O)C1O

Aglycone:
CC(C)C(O)(CCC(C(=O)O)C1CCC2C3=CCC4CC(O)CCC4(C)C3=CCC21C)C(C)O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 12 FractionCSP3: 0.89
AlogP: -0.79 Num_rotatable_bonds: 15
MolWt: 931.08 Num_heavy_atoms: 65
TPSA: 315.21 NumAromaticRings: 0

Unique Aglycone
AD45774
Formula: C29H46O5

Smiles:
CC(C)C(O)(CCC(C(=O)O)C1CCC2C3=CCC4CC(O)CCC4(C)C3=CCC21C)C(C)O
HBA: 5 RingCount: 4
HBD: 4 FractionCSP3: 0.83
AlogP: 5.1 Num_rotatable_bonds: 7
MolWt: 474.68 Num_heavy_atoms: 34
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD00544

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O