Glycoside
GD140450
Name:
6-(3-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-2-methylheptyl acetateFormula:
C37H61O9NSmiles:
CC(=O)OCC(C)CCCC(C)C1CC(OC2OC(CO)C(O)C(O)C2N=C(C)O)C2C3C=CC4CC(O)CCC4(C)C3CCC12CAglycone:
CC(=O)OCC(C)CCCC(C)C1CC(O)C2C3C=CC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 4.57 | Num_rotatable_bonds: | 11 |
| MolWt: | 663.89 | Num_heavy_atoms: | 47 |
| TPSA: | 158.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD56632
Formula: C29H48O4
Smiles:
CC(=O)OCC(C)CCCC(C)C1CC(O)C2C3C=CC4CC(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 5.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 460.7 | Num_heavy_atoms: | 33 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
