Glycoside
GD111237
Name:
4-(benzoyloxy)-2-[(benzoyloxy)methyl]-5-(5-chloro-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl)oxolan-3-yl benzoateFormula:
C30H22O8N3ClSmiles:
O=C(OC[C@H]1O[C@@H](n2ncc(Cl)nc2=O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1Aglycone:
COC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=c1nc(Cl)cn[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 575.96 | Num_heavy_atoms: | 41 |
| TPSA: | 135.91 | NumAromaticRings: | 4 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD44670
Formula: C4H2ON3Cl
Smiles:
O=c1nc(Cl)cn[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 131.52 | Num_heavy_atoms: | 8 |
| TPSA: | 58.64 | NumAromaticRings: | 1 |
