Glycoside
GD126969
Name:
7-[(3,4-dihydroxy-6-methyloxan-2-yl)oxy]-9a-formyl-3a,5a-dihydroxy-11a-methyl-1-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-8-yl acetateFormula:
C32H44O11Smiles:
CC(=O)OC1CC2(C=O)C3CCC4(C)C(c5ccc(=O)oc5)CCC4(O)C3CCC2(O)CC1OC1OC(C)CC(O)C1OAglycone:
CC(=O)OC1CC2(C=O)C3CCC4(C)C(c5ccc(=O)oc5)CCC4(O)C3CCC2(O)CC1OSugarmoiety:
CC1CC(O)C(O)C(O)O1Other Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 604.69 | Num_heavy_atoms: | 43 |
| TPSA: | 172.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD51399
Formula: C26H34O8
Smiles:
CC(=O)OC1CC2(C=O)C3CCC4(C)C(c5ccc(=O)oc5)CCC4(O)C3CCC2(O)CC1O| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 474.55 | Num_heavy_atoms: | 34 |
| TPSA: | 134.27 | NumAromaticRings: | 1 |
