Glycoside
GD024774
Name:
NoneFormula:
C21H35O13N5Smiles:
NC[C@@H]1O[C@H](OC[C@@H]2O[C@H](OC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)[C@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@H](O)[C@H]1OAglycone:
O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OCC2OC(OCC3OC(O)C(O)C3O)C(N)C(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 0.81 |
| AlogP: | -7.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 565.53 | Num_heavy_atoms: | 39 |
| TPSA: | 300.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
