Glycoside
GD141101
Name:
methyl 4a,6-dihydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C23H36O16Smiles:
COC(=O)C1=COC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2C(C)C(O)CC12OAglycone:
COC(=O)C1=COC(O)C2C(C)C(O)CC12OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.87 |
| AlogP: | -5.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 568.53 | Num_heavy_atoms: | 39 |
| TPSA: | 254.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD51634
Formula: C11H16O6
Smiles:
COC(=O)C1=COC(O)C2C(C)C(O)CC12O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 1 |
| MolWt: | 244.24 | Num_heavy_atoms: | 17 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
