Glycoside
GD140431
Name:
methyl 1-(acetyloxy)-1-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carboxylateFormula:
C26H40O15Smiles:
COC(=O)C1=CCC(OC2OC(CO)C(O)C(O)C2O)C2C1C(OC1OC(C)C(O)C(O)C1O)CC2(C)OC(C)=OAglycone:
COC(=O)C1=CCC(O)C2C1C(O)CC2(C)OC(C)=OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | -3.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 592.59 | Num_heavy_atoms: | 41 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD48290
Formula: C14H20O6
Smiles:
COC(=O)C1=CCC(O)C2C1C(O)CC2(C)OC(C)=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.31 | Num_heavy_atoms: | 20 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
