Glycoside
GD010157
Name:
SOPHENAZINE BFormula:
C28H30O13N2Smiles:
CC(=O)O[C@H]1[C@H](O)[C@@H](OC(=O)c2cccc3nc4c(C(=O)O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)cccc4nc23)O[C@@H](C)[C@H]1OAglycone:
O=C(O)c1cccc2nc3c(C(=O)O)cccc3nc12Sugarmoiety:
CC(=O)OC1C(O)C(C)OC(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 602.55 | Num_heavy_atoms: | 43 |
| TPSA: | 224.29 | 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 |
