Glycoside
GD148216
Name:
2-[(acetyloxy)methyl]-6-{[5,8-dihydroxy-4a,8-dimethyl-2-(propan-2-yl)-decahydronaphthalen-1-yl]oxy}-3,5-dihydroxyoxan-4-yl 2-methylbut-2-enoateFormula:
C28H46O10Smiles:
CC=C(C)C(=O)OC1C(O)C(COC(C)=O)OC(OC2C(C(C)C)CCC3(C)C(O)CCC(C)(O)C23)C1OAglycone:
CC(C)C1CCC2(C)C(O)CCC(C)(O)C2C1O.CC=C(C)C(=O)O.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 542.67 | Num_heavy_atoms: | 38 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
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 |
AD48499
Formula: C15H28O3
Smiles:
CC(C)C1CCC2(C)C(O)CCC(C)(O)C2C1O| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.39 | Num_heavy_atoms: | 18 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
