Glycoside
GD128758
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 7-[(acetyloxy)methyl]-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H-cyclopenta[c]pyran-4-carboxylateFormula:
C24H34O16Smiles:
CC(=O)OCC1=C2C(OC3OC(CO)C(O)C(O)C3O)OC=C(C(=O)OC3OC(CO)C(O)C(O)C3O)C2CC1Aglycone:
CC(=O)OCC1=C2C(O)OC=C(C(=O)O)C2CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.75 |
| AlogP: | -4.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 578.52 | Num_heavy_atoms: | 40 |
| TPSA: | 251.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD52156
Formula: C12H14O6
Smiles:
CC(=O)OCC1=C2C(O)OC=C(C(=O)O)C2CC1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 254.24 | Num_heavy_atoms: | 18 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
