Glycoside
GD126422
Name:
2-(hydroxymethyl)-5-(3-methylbutyl)-1H-indol-3-yl 4,5-dihydroxy-5-(hydroxymethyl)-3-(3-hydroxypropoxy)oxolane-2-carboxylateFormula:
C23H33O9NSmiles:
CC(C)CCc1ccc2[nH]c(CO)c(OC(=O)C3OC(O)(CO)C(O)C3OCCCO)c2c1Aglycone:
CC(C)CCc1ccc2[nH]c(CO)c(OC=O)c2c1.OCCCOSugarmoiety:
OCCCOOOC(O)(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.61 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 11 |
| MolWt: | 467.52 | Num_heavy_atoms: | 33 |
| TPSA: | 161.7 | NumAromaticRings: | 2 |
Unique Aglycone
AD03058
Formula: C3H8O2
Smiles:
OCCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
AD49575
Formula: C15H19O3N
Smiles:
CC(C)CCc1ccc2[nH]c(CO)c(OC=O)c2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 261.32 | Num_heavy_atoms: | 19 |
| TPSA: | 62.32 | NumAromaticRings: | 2 |
