Glycoside
GD122999
Name:
2-({4a,5,7-trihydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl}methyl)-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C21H34O13Smiles:
CC1(O)CC(O)C2(O)C=COC(CC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)C12Aglycone:
CC1OC=CC2(O)C(O)CC(C)(O)C12Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | -4.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 494.49 | Num_heavy_atoms: | 34 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD49612
Formula: C10H16O4
Smiles:
CC1OC=CC2(O)C(O)CC(C)(O)C12| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 200.23 | Num_heavy_atoms: | 14 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
