Glycoside
GD127658
Name:
[6-({11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl}oxy)-3,4,5-tris(acetyloxy)oxan-2-yl]methyl acetateFormula:
C32H40O11Smiles:
CC(=O)OCC1OC(Oc2ccc3c(c2)CCC2C3CCC3(C)C(=O)CCC23)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.66 |
| AlogP: | 3.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 600.66 | Num_heavy_atoms: | 43 |
| TPSA: | 140.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD18025
Formula: C18H22O2
Smiles:
CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.61 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 0 |
| MolWt: | 270.37 | Num_heavy_atoms: | 20 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
