Glycoside
GD124683
Name:
4-(benzoyloxy)-5-[(benzoyloxy)methyl]-2-(6-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-2-yl)oxolan-3-yl benzoateFormula:
C30H25O9N3Smiles:
Cc1nn(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)c(=O)nc1OAglycone:
COC(=O)c1ccccc1.Cc1n[nH]c(=O)nc1O.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 8 |
| MolWt: | 571.54 | Num_heavy_atoms: | 42 |
| TPSA: | 156.14 | 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 |
AD50385
Formula: C4H5O2N3
Smiles:
Cc1n[nH]c(=O)nc1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 0 |
| MolWt: | 127.1 | Num_heavy_atoms: | 9 |
| TPSA: | 78.87 | NumAromaticRings: | 1 |
