Glycoside
GD151500
Name:
3a-hydroxy-8-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl acetateFormula:
C30H44O9Smiles:
COC1CC(OC2CCC3CCC4C(CCC5C(C6=CC(=O)OC6)C(OC(C)=O)CC45O)C3C2)OC(C)C1OAglycone:
CC(=O)OC1CC2(O)C3CCC4CCC(O)CC4C3CCC2C1C1=CC(=O)OC1Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 548.67 | Num_heavy_atoms: | 39 |
| TPSA: | 120.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD60413
Formula: C23H32O6
Smiles:
CC(=O)OC1CC2(O)C3CCC4CCC(O)CC4C3CCC2C1C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 404.5 | Num_heavy_atoms: | 29 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
