Glycoside
GD117493
Name:
1-acetyl-3a-hydroxy-7-{[5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-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-11-yl acetateFormula:
C44H70O14Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4CCC5(C)C(=CCC6C5CC(OC(C)=O)C5(C)C(C(C)=O)CCC65O)C4)CC3OC)CC2OC)OC(C)C1OAglycone:
CC(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)=O)C12CSugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 4.78 | Num_rotatable_bonds: | 11 |
| MolWt: | 823.03 | Num_heavy_atoms: | 58 |
| TPSA: | 166.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD45568
Formula: C23H34O5
Smiles:
CC(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)=O)C12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 390.52 | Num_heavy_atoms: | 28 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
