Glycoside
GD122482
Name:
2-(acetyloxy)-10-[6-(acetyloxy)-3-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-2,2,6-trimethylcyclohexyl]-3,8-dimethyl-1-(2,6,6-trimethyl-5-oxocyclohex-2-en-1-yl)deca-3,7-dien-5-yl acetateFormula:
C44H68O14Smiles:
CC(=O)OCC1OC(OC2CCC(C)(OC(C)=O)C(CCC(C)=CCC(C=C(C)C(CC3C(C)=CCC(=O)C3(C)C)OC(C)=O)OC(C)=O)C2(C)C)C(O)C(O)C1OAglycone:
CC(=O)OC(C=C(C)C(CC1C(C)=CCC(=O)C1(C)C)OC(C)=O)CC=C(C)CCC1C(C)(OC(C)=O)CCC(O)C1(C)C.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 5.38 | Num_rotatable_bonds: | 16 |
| MolWt: | 821.01 | Num_heavy_atoms: | 58 |
| TPSA: | 201.42 | 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 |
AD03541
Formula: C36H56O8
Smiles:
CC(=O)OC(C=C(C)C(CC1C(C)=CCC(=O)C1(C)C)OC(C)=O)CC=C(C)CCC1C(C)(OC(C)=O)CCC(O)C1(C)C| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.72 |
| AlogP: | 6.98 | Num_rotatable_bonds: | 12 |
| MolWt: | 616.84 | Num_heavy_atoms: | 44 |
| TPSA: | 116.2 | NumAromaticRings: | 0 |
