Glycoside
GD118786
Name:
4,5-dihydroxy-6-[(4-hydroxybenzoyloxy)methyl]-3-(1H-pyrrole-2-carbonyloxy)oxan-2-yl 1H-pyrrole-2-carboxylateFormula:
C23H22O10N2Smiles:
O=C(OCC1OC(OC(=O)c2ccc[nH]2)C(OC(=O)c2ccc[nH]2)C(O)C1O)c1ccc(O)cc1Aglycone:
COC(=O)c1ccc(O)cc1.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: | 0.26 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 486.43 | Num_heavy_atoms: | 35 |
| TPSA: | 180.4 | NumAromaticRings: | 3 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | 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 |
