Glycoside
GD028696
Name:
SOPHENAZINE DFormula:
C25H28O11N2Smiles:
C[C@@H]1O[C@H](OC(=O)c2cccc3nc4c(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(O)cccc3nc12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 532.5 | Num_heavy_atoms: | 38 |
| TPSA: | 201.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD12203
Formula: C13H8O3N2
Smiles:
O=C(O)c1cccc2nc3c(O)cccc3nc12| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 240.22 | Num_heavy_atoms: | 18 |
| TPSA: | 83.31 | NumAromaticRings: | 3 |
