Glycoside
GD120255
Name:
2-(9a,11a-dimethyl-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-5-ethyl-4-hydroxy-6-methyl-6-(methylamino)heptan-3-oneFormula:
C36H59O9NSmiles:
CCC(C(O)C(=O)C(C)C1CCC2C3C(=O)C=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)(C)NCAglycone:
CCC(C(O)C(=O)C(C)C1CCC2C3C(=O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)(C)NCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 10 |
| MolWt: | 649.87 | Num_heavy_atoms: | 46 |
| TPSA: | 165.78 | NumAromaticRings: | 0 |
Unique Aglycone
AD48283
Formula: C30H49O4N
Smiles:
CCC(C(O)C(=O)C(C)C1CCC2C3C(=O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)(C)NC| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 4.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 487.73 | Num_heavy_atoms: | 35 |
| TPSA: | 86.63 | NumAromaticRings: | 0 |
