Glycoside
GD136456
Name:
1,3-dihydroxy-9a,11a-dimethyl-1-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-oneFormula:
C27H42O9Smiles:
CC(OC1OC(CO)C(O)C(O)C1O)C1(O)CC(O)C2C3CCC4=CC(=O)CCC4(C)C3CCC21CAglycone:
CC(O)C1(O)CC(O)C2C3CCC4=CC(=O)CCC4(C)C3CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 510.62 | Num_heavy_atoms: | 36 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD55157
Formula: C21H32O4
Smiles:
CC(O)C1(O)CC(O)C2C3CCC4=CC(=O)CCC4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 348.48 | Num_heavy_atoms: | 25 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
