Glycoside
GD125368
Name:
7-methyl-1-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C24H32O13Smiles:
CC(=O)OCC1OC(OC2OC=C(C(=O)O)C3CCC(C)C23)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC1CCC2C(C(=O)O)=COC(O)C12.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 8 |
| MolWt: | 528.51 | Num_heavy_atoms: | 37 |
| TPSA: | 170.19 | 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 |
AD22935
Formula: C10H14O4
Smiles:
CC1CCC2C(C(=O)O)=COC(O)C12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 198.22 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
