Glycoside
GD155845
Name:
2-(methylamino)-3-{2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H-indol-3-yl}propanoic acidFormula:
C18H24O7N2Smiles:
CNC(Cc1c(C2OC(CO)C(O)C(O)C2O)[nH]c2ccccc12)C(=O)OAglycone:
CNC(Cc1c[nH]c2ccccc12)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 380.4 | Num_heavy_atoms: | 27 |
| 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 |
