Glycoside
GD034674
Name:
SOPHENAZINE CFormula:
C30H32O14N2Smiles:
CC(=O)O[C@H]1[C@@H](O)[C@@H](C)O[C@@H](OC(=O)c2cccc3nc4c(C(=O)O[C@H]5O[C@@H](C)[C@@H](O)[C@@H](OC(C)=O)[C@@H]5O)cccc4nc23)[C@@H]1OAglycone:
O=C(O)c1cccc2nc3c(C(=O)O)cccc3nc12Sugarmoiety:
CC(=O)OC1C(O)C(C)OC(O)C1O.CC(=O)OC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 644.59 | Num_heavy_atoms: | 46 |
| TPSA: | 230.36 | 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 |
