Glycoside
GD139928
Name:
4,5-dihydroxy-2-(1H-pyrrole-2-carbonyloxy)-6-[(1H-pyrrole-2-carbonyloxy)methyl]oxan-3-yl 1H-pyrrole-2-carboxylateFormula:
C21H21O9N3Smiles:
O=C(OCC1OC(OC(=O)c2ccc[nH]2)C(OC(=O)c2ccc[nH]2)C(O)C1O)c1ccc[nH]1Aglycone:
COC(=O)c1ccc[nH]1.O=C(O)c1ccc[nH]1.O=C(O)c1ccc[nH]1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 459.41 | Num_heavy_atoms: | 33 |
| TPSA: | 175.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD19997
Formula: C6H7O2N
Smiles:
COC(=O)c1ccc[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 42.09 | NumAromaticRings: | 1 |
AD22158
Formula: C5H5O2N
Smiles:
O=C(O)c1ccc[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 53.09 | NumAromaticRings: | 1 |
