Glycoside
GD150426
Name:
2-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-7-hydroxy-3a,3b,6,9a-tetramethyl-2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H-cyclopenta[a]phenanthrene-6-carboxylic acidFormula:
C27H42O8Smiles:
CC12CCC(O)C(C)(C(=O)O)C1CCC1(C)C2CCC2=CC(OC3OC(CO)C(O)C3O)CC21CAglycone:
CC12CCC(O)C(C)(C(=O)O)C1CCC1(C)C2CCC2=CC(O)CC21CSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 494.63 | Num_heavy_atoms: | 35 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD60090
Formula: C22H34O4
Smiles:
CC12CCC(O)C(C)(C(=O)O)C1CCC1(C)C2CCC2=CC(O)CC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 3.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 362.51 | Num_heavy_atoms: | 26 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
