Glycoside
GD025318
Name:
SOPHENAZINE AFormula:
C26H28O12N2Smiles:
C[C@@H]1O[C@H](OC(=O)c2cccc3nc4c(C(=O)O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)cccc4nc23)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(O)c1cccc2nc3c(C(=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: | 0.46 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 560.51 | Num_heavy_atoms: | 40 |
| TPSA: | 218.22 | NumAromaticRings: | 3 |
Unique Aglycone
AD07883
Formula: C14H8O4N2
Smiles:
O=C(O)c1cccc2nc3c(C(=O)O)cccc3nc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 268.23 | Num_heavy_atoms: | 20 |
| TPSA: | 100.38 | NumAromaticRings: | 3 |
