Glycoside
GD142884
Name:
methyl 1,3-bis(acetyloxy)-1-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carboxylateFormula:
C22H32O12Smiles:
COC(=O)C1=CCC(OC2OC(CO)C(O)C(O)C2O)C2C1C(OC(C)=O)CC2(C)OC(C)=OAglycone:
COC(=O)C1=CCC(O)C2C1C(OC(C)=O)CC2(C)OC(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 488.49 | Num_heavy_atoms: | 34 |
| TPSA: | 178.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD57491
Formula: C16H22O7
Smiles:
COC(=O)C1=CCC(O)C2C1C(OC(C)=O)CC2(C)OC(C)=O| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 326.35 | Num_heavy_atoms: | 23 |
| TPSA: | 99.13 | NumAromaticRings: | 0 |
