Glycoside
GD023400
Name:
NoneFormula:
C35H38O16N4Smiles:
O=C1c2c(c3c4ccc(O)cc4n([C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NC(CO)COAglycone:
O=C1c2c(c3c4ccc(O)cc4[nH]c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NC(CO)COSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 13 | FractionCSP3: | 0.43 |
| AlogP: | -2.91 | Num_rotatable_bonds: | 9 |
| MolWt: | 770.7 | Num_heavy_atoms: | 55 |
| TPSA: | 320.35 | NumAromaticRings: | 5 |
Unique Aglycone
AD01133
Formula: C23H18O6N4
Smiles:
O=C1c2c(c3c4ccc(O)cc4[nH]c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NC(CO)CO| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.13 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.42 | Num_heavy_atoms: | 33 |
| TPSA: | 161.91 | NumAromaticRings: | 5 |
