Glycoside
GD117133
Name:
6-(4-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-2-methylheptyl acetateFormula:
C37H59O9NSmiles:
CC(=O)OCC(C)CCCC(C)C1CCC2C3C(OC4OC(CO)C(O)C(O)C4N=C(C)O)CC4=CC(=O)CCC4(C)C3CCC12CAglycone:
CC(=O)OCC(C)CCCC(C)C1CCC2C3C(O)CC4=CC(=O)CCC4(C)C3CCC12CSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 4.92 | Num_rotatable_bonds: | 11 |
| MolWt: | 661.88 | Num_heavy_atoms: | 47 |
| TPSA: | 155.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD46654
Formula: C29H46O4
Smiles:
CC(=O)OCC(C)CCCC(C)C1CCC2C3C(O)CC4=CC(=O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 458.68 | Num_heavy_atoms: | 33 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
