Glycoside
...
GD152392

Name:
1-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl]-7-{[3-hydroxy-6-(hydroxymethyl)-4,5-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-11a-(hydroxymethyl)-9a-methyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-9-yl acetate

Formula:
C46H70O20

Smiles:
CC(=O)OC1CC(OC2OC(CO)C(OC3OCC(O)C(O)C3O)C(OC3OCC(O)C(O)C3O)C2O)CC2=CCC3C4CCC(C(C)(O)C5CC(C)=C(C)C(=O)O5)C4(CO)CCC3C21C

Aglycone:
CC(=O)OC1CC(O)CC2=CCC3C4CCC(C(C)(O)C5CC(C)=C(C)C(=O)O5)C4(CO)CCC3C21C

Sugarmoiety:
OCC1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1OC1OCC(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 10 FractionCSP3: 0.87
AlogP: -1.41 Num_rotatable_bonds: 11
MolWt: 943.05 Num_heavy_atoms: 66
TPSA: 310.28 NumAromaticRings: 0

Unique Aglycone
AD60680
Formula: C30H44O7

Smiles:
CC(=O)OC1CC(O)CC2=CCC3C4CCC(C(C)(O)C5CC(C)=C(C)C(=O)O5)C4(CO)CCC3C21C
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.8
AlogP: 3.84 Num_rotatable_bonds: 4
MolWt: 516.68 Num_heavy_atoms: 37
TPSA: 113.29 NumAromaticRings: 0

Sugarmoiety
SD07462

OCC1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1OC1OCC(O)C(O)C1O