Glycoside
GD117263
Name:
3,5-dihydroxy-2-methyl-6-{[1-(1-methylpyrrolidin-2-yl)propan-2-yl]oxy}oxan-4-yl 2-methylbut-2-enoateFormula:
C19H33O6NSmiles:
CC=C(C)C(=O)OC1C(O)C(C)OC(OC(C)CC2CCCN2C)C1OAglycone:
CC(O)CC1CCCN1C.CC=C(C)C(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 371.47 | Num_heavy_atoms: | 26 |
| TPSA: | 88.46 | NumAromaticRings: | 0 |
Unique Aglycone
AD00342
Formula: C5H8O2
Smiles:
CC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD46728
Formula: C8H17ON
Smiles:
CC(O)CC1CCCN1C| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 143.23 | Num_heavy_atoms: | 10 |
| TPSA: | 23.47 | NumAromaticRings: | 0 |
