Glycoside
GD151218
Name:
2-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-1-(3-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-oneFormula:
C39H64O12Smiles:
CC(C)CCC(O)C(C)C1C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC21CAglycone:
CC(C)CCC(O)C(C)C1C(O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC21CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 10 |
| MolWt: | 724.93 | Num_heavy_atoms: | 51 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD49852
Formula: C27H44O3
Smiles:
CC(C)CCC(O)C(C)C1C(O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC21C| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 5.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 416.65 | Num_heavy_atoms: | 30 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
