Glycoside
GD145871
Name:
2-(hydroxymethyl)-5-[3-methyl-5-(methylamino)pentyl]-1H-indol-3-yl 3,4,5-trihydroxy-5-(hydroxymethyl)oxolane-2-carboxylateFormula:
C22H32O8N2Smiles:
CNCCC(C)CCc1ccc2[nH]c(CO)c(OC(=O)C3OC(O)(CO)C(O)C3O)c2c1Aglycone:
CNCCC(C)CCc1ccc2[nH]c(CO)c(OC=O)c2c1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 10 |
| MolWt: | 452.5 | Num_heavy_atoms: | 32 |
| TPSA: | 164.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD58525
Formula: C17H24O3N2
Smiles:
CNCCC(C)CCc1ccc2[nH]c(CO)c(OC=O)c2c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 9 |
| MolWt: | 304.39 | Num_heavy_atoms: | 22 |
| TPSA: | 74.35 | NumAromaticRings: | 2 |
