Glycoside
GD123428
Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-1-(2,6-dihydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-oneFormula:
C39H64O14Smiles:
CC(C)(O)CCCC(C)(O)C1CCC2C3=CC(=O)C4CC(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21CAglycone:
CC(C)(O)CCCC(C)(O)C1CCC2C3=CC(=O)C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 11 |
| MolWt: | 756.93 | Num_heavy_atoms: | 53 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD49807
Formula: C27H44O4
Smiles:
CC(C)(O)CCCC(C)(O)C1CCC2C3=CC(=O)C4CC(O)CCC4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 4.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
