Glycoside
GD126775
Name:
Dihyroxy-1H-Indole Glucuronide IFormula:
C14H15O8NSmiles:
O=C(O)C1OC(Oc2cc3[nH]ccc3cc2O)C(O)C(O)C1OAglycone:
Oc1cc2cc[nH]c2cc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 325.27 | Num_heavy_atoms: | 23 |
| TPSA: | 152.47 | NumAromaticRings: | 2 |
Unique Aglycone
AD51309
Formula: C8H7O2N
Smiles:
Oc1cc2cc[nH]c2cc1O| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.15 | Num_heavy_atoms: | 11 |
| TPSA: | 56.25 | NumAromaticRings: | 2 |
