Glycoside
GD118946
Name:
1-{[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy}-6-hydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C17H26O9Smiles:
CC1C(OC2OC=C(C(=O)O)C3CC(O)C(C)C23)OC(CO)C(O)C1OAglycone:
CC1C(O)CC2C(C(=O)O)=COC(O)C21Sugarmoiety:
CC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 374.39 | Num_heavy_atoms: | 26 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD07728
Formula: C10H14O5
Smiles:
CC1C(O)CC2C(C(=O)O)=COC(O)C21| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 214.22 | Num_heavy_atoms: | 15 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
