Glycoside
GD130453
Name:
2-(4,7-dihydroxy-9a,11a-dimethyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-6-methylheptan-4-oneFormula:
C33H54O9Smiles:
CC(C)CC(=O)CC(C)C1C(OC2OC(CO)C(O)C(O)C2O)CC2C3C(O)C=C4CC(O)CCC4(C)C3CCC21CAglycone:
CC(C)CC(=O)CC(C)C1C(O)CC2C3C(O)C=C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 594.79 | Num_heavy_atoms: | 42 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD45293
Formula: C27H44O4
Smiles:
CC(C)CC(=O)CC(C)C1C(O)CC2C3C(O)C=C4CC(O)CCC4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
