Glycoside
GD124593
Name:
7-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-5-yl 4-hydroxy-3,5-dimethoxybenzoateFormula:
C24H32O13Smiles:
COc1cc(C(=O)OC2CC(C)(O)C3C(OC4OC(CO)C(O)C(O)C4O)OC=CC23)cc(OC)c1OAglycone:
COc1cc(C(=O)OC2CC(C)(O)C3C(O)OC=CC23)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 528.51 | Num_heavy_atoms: | 37 |
| TPSA: | 193.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD14700
Formula: C18H22O8
Smiles:
COc1cc(C(=O)OC2CC(C)(O)C3C(O)OC=CC23)cc(OC)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 366.37 | Num_heavy_atoms: | 26 |
| TPSA: | 114.68 | NumAromaticRings: | 1 |
