Glycoside
GD011759
Name:
NoneFormula:
C32H35O13N5Smiles:
NC[C@@H]1O[C@H](O[C@H]([C@@H]2NC(=O)[C@H](COC(=O)c3ccc(-c4ccccc4)cc3)NC2=O)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
O=C(OCC1NC(=O)C(CO)NC1=O)c1ccc(-c2ccccc2)cc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.41 |
| AlogP: | -3.55 | Num_rotatable_bonds: | 10 |
| MolWt: | 697.65 | Num_heavy_atoms: | 50 |
| TPSA: | 273.99 | NumAromaticRings: | 3 |
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 |
AD08948
Formula: C19H18O5N2
Smiles:
O=C(OCC1NC(=O)C(CO)NC1=O)c1ccc(-c2ccccc2)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 354.36 | Num_heavy_atoms: | 26 |
| TPSA: | 104.73 | NumAromaticRings: | 2 |
