Glycoside
GD125998
Name:
5-[3-methyl-5-(methylamino)pentyl]-1H-indol-3-yl 3,4,5-trihydroxy-5-(hydroxymethyl)oxolane-2-carboxylateFormula:
C21H30O7N2Smiles:
CNCCC(C)CCc1ccc2[nH]cc(OC(=O)C3OC(O)(CO)C(O)C3O)c2c1Aglycone:
CNCCC(C)CCc1ccc2[nH]cc(OC=O)c2c1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 422.48 | Num_heavy_atoms: | 30 |
| TPSA: | 144.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD50968
Formula: C16H22O2N2
Smiles:
CNCCC(C)CCc1ccc2[nH]cc(OC=O)c2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 8 |
| MolWt: | 274.36 | Num_heavy_atoms: | 20 |
| TPSA: | 54.12 | NumAromaticRings: | 2 |
