Glycoside
GD138624
Name:
N-(2-{[11a-methyl-1-(6-methylheptan-2-yl)-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-9a-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)acetamideFormula:
C35H57O7NSmiles:
CC(O)=NC1C(OCC23CCC(=O)C=C2CCC2C3CCC3(C)C(C(C)CCCC(C)C)CCC23)OC(CO)C(O)C1OAglycone:
CC(C)CCCC(C)C1CCC2C3CCC4=CC(=O)CCC4(CO)C3CCC12CSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 5.38 | Num_rotatable_bonds: | 10 |
| MolWt: | 603.84 | Num_heavy_atoms: | 43 |
| TPSA: | 128.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD03654
Formula: C27H44O2
Smiles:
CC(C)CCCC(C)C1CCC2C3CCC4=CC(=O)CCC4(CO)C3CCC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 6.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 400.65 | Num_heavy_atoms: | 29 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
