Glycoside
GD023390
Name:
NoneFormula:
C33H27O12N5Smiles:
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)N1NCc1ccc([N+](=O)[O-])cc1Aglycone:
O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1ccc([N+](=O)[O-])cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.21 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 685.6 | Num_heavy_atoms: | 50 |
| TPSA: | 253.11 | NumAromaticRings: | 6 |
Unique Aglycone
AD15740
Formula: C27H17O7N5
Smiles:
O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1ccc([N+](=O)[O-])cc1| HBA: | 12 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.04 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 523.46 | Num_heavy_atoms: | 39 |
| TPSA: | 173.96 | NumAromaticRings: | 6 |
