Glycoside
...
GD149591

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

Formula:
C48H74O21

Smiles:
CC(=O)OC1CC(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)CC2=CCC3C4CCC(C(C)(O)C5CC(C)=C(C)C(=O)O5)C4(C)CCC3C21C

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

Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 11 FractionCSP3: 0.88
AlogP: -1.66 Num_rotatable_bonds: 12
MolWt: 987.1 Num_heavy_atoms: 69
TPSA: 330.51 NumAromaticRings: 0

Unique Aglycone
AD56188
Formula: C30H44O6

Smiles:
CC(=O)OC1CC(O)CC2=CCC3C4CCC(C(C)(O)C5CC(C)=C(C)C(=O)O5)C4(C)CCC3C21C
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.8
AlogP: 4.87 Num_rotatable_bonds: 3
MolWt: 500.68 Num_heavy_atoms: 36
TPSA: 93.06 NumAromaticRings: 0

Sugarmoiety
SD00673

OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O