Glycoside
GD143496
Name:
7-methyl-1-[(3,4,5-trihydroxy-6-{[(3-oxobutanoyl)oxy]methyl}oxan-2-yl)oxy]-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C20H28O11Smiles:
CC(=O)CC(=O)OCC1OC(OC2OC=C(C(=O)O)C3CCC(C)C23)C(O)C(O)C1OAglycone:
CC1CCC2C(C(=O)O)=COC(O)C12.COC(=O)CC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 7 |
| MolWt: | 444.43 | Num_heavy_atoms: | 31 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD17981
Formula: C5H8O3
Smiles:
COC(=O)CC(C)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 116.12 | Num_heavy_atoms: | 8 |
| TPSA: | 43.37 | 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 |
