Glycoside
GD021836
Name:
NoneFormula:
C21H23O9N5Smiles:
N[C@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@H](C(=O)O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
NC(Cc1c[nH]c2ccc(O)cc12)C(=O)NCC(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.33 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 489.44 | Num_heavy_atoms: | 35 |
| TPSA: | 232.99 | 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 |
AD14868
Formula: C13H15O4N3
Smiles:
NC(Cc1c[nH]c2ccc(O)cc12)C(=O)NCC(=O)O| HBA: | 7 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.23 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 277.28 | Num_heavy_atoms: | 20 |
| TPSA: | 128.44 | NumAromaticRings: | 2 |
