Glycoside
GD116900
Name:
[3,4,5-tris(acetyloxy)-6-{[1-(5-ethyl-6-methylhept-3-en-2-yl)-9a,11a-dimethyl-4-oxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}oxan-2-yl]methyl acetateFormula:
C43H64O11Smiles:
CCC(C=CC(C)C1CCC2C3C(=O)C=C4CC(OC5OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C5OC(C)=O)CCC4(C)C3CCC12C)C(C)CAglycone:
CCC(C=CC(C)C1CCC2C3C(=O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C.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: | 0.79 |
| AlogP: | 7.09 | Num_rotatable_bonds: | 12 |
| MolWt: | 756.97 | Num_heavy_atoms: | 54 |
| TPSA: | 140.73 | NumAromaticRings: | 0 |
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 |
AD46514
Formula: C29H46O2
Smiles:
CCC(C=CC(C)C1CCC2C3C(=O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 6.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.69 | Num_heavy_atoms: | 31 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
