Glycoside
GD145027
Name:
Solphenazine AFormula:
C28H32O12N2Smiles:
CC1OC(OC(=O)Cc2cccc3nc4c(CC(=O)OC5OC(C)C(O)C(O)C5O)cccc4nc23)C(O)C(O)C1OAglycone:
O=C(O)Cc1cccc2nc3c(CC(=O)O)cccc3nc12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 588.57 | Num_heavy_atoms: | 42 |
| TPSA: | 218.22 | NumAromaticRings: | 3 |
Unique Aglycone
AD50996
Formula: C16H12O4N2
Smiles:
O=C(O)Cc1cccc2nc3c(CC(=O)O)cccc3nc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 296.28 | Num_heavy_atoms: | 22 |
| TPSA: | 100.38 | NumAromaticRings: | 3 |
