Glycoside
GD119187
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 6-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C22H34O15Smiles:
CC1C(O)CC2C(C(=O)OC3OC(CO)C(O)C(O)C3O)=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC1C(O)CC2C(C(=O)O)=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.86 |
| AlogP: | -4.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 538.5 | Num_heavy_atoms: | 37 |
| TPSA: | 245.29 | 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 |
