Glycoside
GD152654
Name:
1-{1,3a,11-trihydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethyl acetateFormula:
C30H48O9Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3CC(O)C3(C)C(O)(C(C)OC(C)=O)CCC43O)C2)OC(C)C1OAglycone:
CC(=O)OC(C)C1(O)CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(O)C12CSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 552.71 | Num_heavy_atoms: | 39 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD60766
Formula: C23H36O6
Smiles:
CC(=O)OC(C)C1(O)CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(O)C12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 408.54 | Num_heavy_atoms: | 29 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
