Glycoside
GD124125
Name:
5-(3-methylbutyl)-1H-indol-3-yl 4,5-dihydroxy-5-(hydroxymethyl)-3-(3-hydroxypropoxy)oxolane-2-carboxylateFormula:
C22H31O8NSmiles:
CC(C)CCc1ccc2[nH]cc(OC(=O)C3OC(O)(CO)C(O)C3OCCCO)c2c1Aglycone:
CC(C)CCc1ccc2[nH]cc(OC=O)c2c1.OCCCOSugarmoiety:
OCCCOOOC(O)(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 10 |
| MolWt: | 437.49 | Num_heavy_atoms: | 31 |
| TPSA: | 141.47 | 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 |
AD48906
Formula: C14H17O2N
Smiles:
CC(C)CCc1ccc2[nH]cc(OC=O)c2c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 231.29 | Num_heavy_atoms: | 17 |
| TPSA: | 42.09 | NumAromaticRings: | 2 |
