Glycoside
GD129913
Name:
7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-3a-yl acetateFormula:
C32H48O8Smiles:
COC1CC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43OC(C)=O)C2)OC(C)C1OAglycone:
CC(=O)OC12CCC(C3=CC(=O)OC3)C1(C)CCC1C2CCC2CC(O)CCC21CSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 4.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 560.73 | Num_heavy_atoms: | 40 |
| TPSA: | 100.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD52633
Formula: C25H36O5
Smiles:
CC(=O)OC12CCC(C3=CC(=O)OC3)C1(C)CCC1C2CCC2CC(O)CCC21C| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.84 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 416.56 | Num_heavy_atoms: | 30 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
