Glycoside
GD125462
Name:
2-hydroxy-1-[7-hydroxy-5-(1-hydroxypropan-2-yl)hept-5-en-2-yl]-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-5-oneFormula:
C35H54O10Smiles:
CC(CO)C(=CCO)CCC(C)C1C(O)CC2C3=CC(=O)C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3=CCC21CAglycone:
CC(CO)C(=CCO)CCC(C)C1C(O)CC2C3=CC(=O)C4CC(O)CCC4(C)C3=CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.8 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 10 |
| MolWt: | 634.81 | Num_heavy_atoms: | 45 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD50744
Formula: C29H44O5
Smiles:
CC(CO)C(=CCO)CCC(C)C1C(O)CC2C3=CC(=O)C4CC(O)CCC4(C)C3=CCC21C| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 3.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 472.67 | Num_heavy_atoms: | 34 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
