Glycoside
...
GD150561

Name:
7-{[5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)-9a,11a-dimethyl-1-(6-methyl-4-oxoheptan-2-yl)-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthrene-6-carboxylic acid

Formula:
C46H74O19

Smiles:
CC(C)CC(=O)CC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(OC2OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C2OC2OCC(O)C(O)C2O)C(CO)(C(=O)O)C1CC3

Aglycone:
CC(C)CC(=O)CC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(CO)(C(=O)O)C1CC3

Sugarmoiety:
OCC1OC(OC2C(O)C(CO)OC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 11 FractionCSP3: 0.91
AlogP: -0.5 Num_rotatable_bonds: 15
MolWt: 931.08 Num_heavy_atoms: 65
TPSA: 312.05 NumAromaticRings: 0

Unique Aglycone
AD60126
Formula: C29H46O5

Smiles:
CC(C)CC(=O)CC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(CO)(C(=O)O)C1CC3
HBA: 5 RingCount: 4
HBD: 3 FractionCSP3: 0.86
AlogP: 5.39 Num_rotatable_bonds: 7
MolWt: 474.68 Num_heavy_atoms: 34
TPSA: 94.83 NumAromaticRings: 0

Sugarmoiety
SD01291

OCC1OC(OC2C(O)C(CO)OC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O