Glycoside
GD024101
Name:
NoneFormula:
C27H23O7N3Smiles:
CN1C(=O)c2c(c3c4ccccc4n([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c3c3[nH]c4ccccc4c23)C1=OAglycone:
CN1C(=O)c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 501.5 | Num_heavy_atoms: | 37 |
| TPSA: | 148.25 | NumAromaticRings: | 5 |
Unique Aglycone
AD06878
Formula: C21H13O2N3
Smiles:
CN1C(=O)c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=O| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.05 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 339.35 | Num_heavy_atoms: | 26 |
| TPSA: | 68.96 | NumAromaticRings: | 5 |
