Glycoside
GD127739
Name:
1-(2,6-dihydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl)-3a,7,8,9-tetrahydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-oneFormula:
C33H54O13Smiles:
CC(C)(O)CCC(OC1OC(CO)C(O)C(O)C1O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)C(O)C4(C)C3CCC12CAglycone:
CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)C(O)C4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.91 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 8 |
| MolWt: | 658.78 | Num_heavy_atoms: | 46 |
| TPSA: | 237.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD51740
Formula: C27H44O8
Smiles:
CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)C(O)C4(C)C3CCC12C| HBA: | 8 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 496.64 | Num_heavy_atoms: | 35 |
| TPSA: | 158.68 | NumAromaticRings: | 0 |
