Glycoside
GD149332
Name:
4-(methoxycarbonyl)-7-methyl-3-oxo-octahydrocyclopenta[c]pyran-6-yl 4-[2-(acetyloxy)ethyl]-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C29H40O15Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC2CC3C(C(=O)OC)C(=O)OCC3C2C)C1CCOC(C)=OAglycone:
C=CC1C(O)OC=C(C(=O)OC2CC3C(C(=O)OC)C(=O)OCC3C2C)C1CCOC(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 10 |
| MolWt: | 628.62 | Num_heavy_atoms: | 44 |
| TPSA: | 213.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD59726
Formula: C23H30O10
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CC3C(C(=O)OC)C(=O)OCC3C2C)C1CCOC(C)=O| HBA: | 10 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.65 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 466.48 | Num_heavy_atoms: | 33 |
| TPSA: | 134.66 | NumAromaticRings: | 0 |
