Glycoside
GD126941
Name:
3,4,5-trihydroxy-6-[2-hydroxy-3-(1H-pyrrole-2-carbonyloxy)propoxy]oxane-2-carboxylic acidFormula:
C14H19O10NSmiles:
O=C(OCC(O)COC1OC(C(=O)O)C(O)C(O)C1O)c1ccc[nH]1Aglycone:
O=C(OCC(O)CO)c1ccc[nH]1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 361.3 | Num_heavy_atoms: | 25 |
| TPSA: | 178.77 | NumAromaticRings: | 1 |
Unique Aglycone
AD51383
Formula: C8H11O4N
Smiles:
O=C(OCC(O)CO)c1ccc[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 185.18 | Num_heavy_atoms: | 13 |
| TPSA: | 82.55 | NumAromaticRings: | 1 |
