Glycoside
GD142345
Name:
N-(4,5-dihydroxy-2-{[1-(7-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)acetamideFormula:
C35H57O8NSmiles:
CC(O)=NC1C(OC2CC3=CC(=O)CCC3(C)C3CCC4(C)C(C(C)CCCC(C)CO)CCC4C23)OC(CO)C(O)C1OAglycone:
CC(CO)CCCC(C)C1CCC2C3C(O)CC4=CC(=O)CCC4(C)C3CCC12CSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 4.35 | Num_rotatable_bonds: | 10 |
| MolWt: | 619.84 | Num_heavy_atoms: | 44 |
| TPSA: | 149.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD57287
Formula: C27H44O3
Smiles:
CC(CO)CCCC(C)C1CCC2C3C(O)CC4=CC(=O)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 5.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 416.65 | Num_heavy_atoms: | 30 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
