Glycoside
GD143030
Name:
3-(1H-indol-3-yl)-2-({[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acidFormula:
C17H22O7N2Smiles:
O=C(O)C(Cc1c[nH]c2ccccc12)NCC1(O)OC(CO)C(O)C1OAglycone:
CNC(Cc1c[nH]c2ccccc12)C(=O)OSugarmoiety:
OCC1OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 366.37 | Num_heavy_atoms: | 26 |
| TPSA: | 155.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD06769
Formula: C12H14O2N2
Smiles:
CNC(Cc1c[nH]c2ccccc12)C(=O)O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 218.26 | Num_heavy_atoms: | 16 |
| TPSA: | 65.12 | NumAromaticRings: | 2 |
