Glycoside
GD118875
Name:
2-amino-3-{2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H-indol-3-yl}propanoic acidFormula:
C17H22O7N2Smiles:
NC(Cc1c(C2OC(CO)C(O)C(O)C2O)[nH]c2ccccc12)C(=O)OAglycone:
NC(Cc1c[nH]c2ccccc12)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.47 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 366.37 | Num_heavy_atoms: | 26 |
| TPSA: | 169.26 | NumAromaticRings: | 2 |
Unique Aglycone
AD29377
Formula: C11H12O2N2
Smiles:
NC(Cc1c[nH]c2ccccc12)C(=O)O| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.18 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 204.23 | Num_heavy_atoms: | 15 |
| TPSA: | 79.11 | NumAromaticRings: | 2 |
