Glycoside
GD121482
Name:
5-(3-methylbutyl)-1H-indol-3-yl 3,4,5-trihydroxy-5-(1-hydroxycyclopentyl)oxolane-2-carboxylateFormula:
C23H31O7NSmiles:
CC(C)CCc1ccc2[nH]cc(OC(=O)C3OC(O)(C4(O)CCCC4)C(O)C3O)c2c1Aglycone:
CC(C)CCc1ccc2[nH]cc(OC=O)c2c1.OC1CCCC1Sugarmoiety:
OC1OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 433.5 | Num_heavy_atoms: | 31 |
| TPSA: | 132.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD45279
Formula: C5H10O
Smiles:
OC1CCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 0 |
| MolWt: | 86.13 | Num_heavy_atoms: | 6 |
| TPSA: | 20.23 | 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 |
