Glycoside
GD023363
Name:
NoneFormula:
C23H24O10N4Smiles:
O=C(OCc1ccc2ccccc2n1)[C@@H](O)[C@@H](O)C(=O)NC[C@@H]1OC(n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
Cc1ccc2ccccc2n1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
O=C(NCC1OC(O)C(O)C1O)C(O)C(O)C(=O)OOOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -2.71 | Num_rotatable_bonds: | 8 |
| MolWt: | 516.46 | Num_heavy_atoms: | 37 |
| TPSA: | 213.3 | 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 |
AD15724
Formula: C10H9N
Smiles:
Cc1ccc2ccccc2n1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 0 |
| MolWt: | 143.19 | Num_heavy_atoms: | 11 |
| TPSA: | 12.89 | NumAromaticRings: | 2 |
