Glycoside
GD022491
Name:
NoneFormula:
C22H21O9N3Smiles:
O=C(CC(=O)OC[C@@H]1OC(n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)OCc1ccc2ccccc2n1Aglycone:
COC(=O)CC(=O)OCc1ccc2ccccc2n1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 471.42 | Num_heavy_atoms: | 34 |
| TPSA: | 170.04 | 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 |
AD15237
Formula: C14H13O4N
Smiles:
COC(=O)CC(=O)OCc1ccc2ccccc2n1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.21 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 259.26 | Num_heavy_atoms: | 19 |
| TPSA: | 65.49 | NumAromaticRings: | 2 |
