Glycoside
GD152819
Name:
5-(6-O-Malonyl-Beta-D-Glucosyloxy)-Indole-3-Carboxylic AcidFormula:
C18H19O11NSmiles:
O=C(O)CC(=O)OCC1OC(Oc2ccc3[nH]cc(C(=O)O)c3c2)C(O)C(O)C1OAglycone:
COC(=O)CC(=O)O.O=C(O)c1c[nH]c2ccc(O)cc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 425.35 | Num_heavy_atoms: | 30 |
| TPSA: | 195.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD60817
Formula: C9H7O3N
Smiles:
O=C(O)c1c[nH]c2ccc(O)cc12| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 177.16 | Num_heavy_atoms: | 13 |
| TPSA: | 73.32 | NumAromaticRings: | 2 |
