Glycoside
GD137038
Name:
4-(acetyloxy)-6-[(2-{8-[(acetyloxy)methyl]-1,2,7-trihydroxy-4a-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl}propan-2-yl)oxy]-2-methyl-5-[(2-methylbut-2-enoyl)oxy]oxan-3-yl 2-methylbut-2-enoateFormula:
C35H52O13Smiles:
CC=C(C)C(=O)OC1C(C)OC(OC(C)(C)C2(O)CCC3(C)CCC(O)C(COC(C)=O)=C3C2O)C(OC(=O)C(C)=CC)C1OC(C)=OAglycone:
CC(=O)OCC1=C2C(O)C(O)(C(C)(C)O)CCC2(C)CCC1O.CC=C(C)C(=O)O.CC=C(C)C(=O)OSugarmoiety:
CC(=O)OC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 10 |
| MolWt: | 680.79 | Num_heavy_atoms: | 48 |
| TPSA: | 184.35 | 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 |
AD55381
Formula: C17H28O6
Smiles:
CC(=O)OCC1=C2C(O)C(O)(C(C)(C)O)CCC2(C)CCC1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 328.41 | Num_heavy_atoms: | 23 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
