Glycoside
GD016533
Name:
4'-(1-hydroxyethyl)-5'-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,7a-dihydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylic acidFormula:
C20H24O12Smiles:
C[C@H](O)C1=C[C@@]2(C=C[C@@H]3C(C(=O)O)=CO[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]32)OC1=OAglycone:
CC(O)C1=CC2(C=CC3C(C(=O)O)=COC(O)C32)OC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 456.4 | Num_heavy_atoms: | 32 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD11891
Formula: C14H14O7
Smiles:
CC(O)C1=CC2(C=CC3C(C(=O)O)=COC(O)C32)OC1=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 294.26 | Num_heavy_atoms: | 21 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
