Glycoside
GD005331
Name:
NoneFormula:
C27H22O10N4Smiles:
O=CNN1C(=O)c2c(c3c4cccc(O)c4n([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c3c3[nH]c4c(O)cccc4c23)C1=OAglycone:
O=CNN1C(=O)c2c(c3c4cccc(O)c4[nH]c3c3[nH]c4c(O)cccc4c23)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.22 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 562.49 | Num_heavy_atoms: | 41 |
| TPSA: | 217.81 | NumAromaticRings: | 5 |
Unique Aglycone
AD04544
Formula: C21H12O5N4
Smiles:
O=CNN1C(=O)c2c(c3c4cccc(O)c4[nH]c3c3[nH]c4c(O)cccc4c23)C1=O| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 400.35 | Num_heavy_atoms: | 30 |
| TPSA: | 138.52 | NumAromaticRings: | 5 |
