Glycoside
GD007323
Name:
NoneFormula:
C21H25O8N5Smiles:
NC(Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@H](CO)[C@@H]1OC(n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
NC(Cc1c[nH]c2ccc(O)cc12)C(=O)NCCO.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.38 |
| AlogP: | -2.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 475.46 | Num_heavy_atoms: | 34 |
| TPSA: | 215.92 | 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 |
AD05974
Formula: C13H17O3N3
Smiles:
NC(Cc1c[nH]c2ccc(O)cc12)C(=O)NCCO| HBA: | 6 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 263.3 | Num_heavy_atoms: | 19 |
| TPSA: | 111.37 | NumAromaticRings: | 2 |
