Glycoside
GD156054
Name:
2-{2-hydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-6-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-3-oneFormula:
C33H52O9Smiles:
CC(CCC(=O)C(C)C1C(O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC21C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCC(=O)C(C)C1C(O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 9 |
| MolWt: | 592.77 | Num_heavy_atoms: | 42 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD52827
Formula: C27H42O4
Smiles:
CC(CO)CCC(=O)C(C)C1C(O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 4.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
