Glycoside
GD008170
Name:
NoneFormula:
C31H26O11N4Smiles:
O=C1c2c(c3c4ccc(O)cc4n(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1ccoc1Aglycone:
O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1ccoc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.23 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 630.57 | Num_heavy_atoms: | 46 |
| TPSA: | 223.11 | NumAromaticRings: | 6 |
Unique Aglycone
AD06561
Formula: C25H16O6N4
Smiles:
O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1ccoc1| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.04 |
| AlogP: | 3.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 468.43 | Num_heavy_atoms: | 35 |
| TPSA: | 143.96 | NumAromaticRings: | 6 |
