Glycoside
GD121154
Name:
1-hydroxy-4-(methoxycarbonyl)-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[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)=COC(O)C3C2C)C1CCOC(C)=OAglycone:
C=CC1C(O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2C)C1CCOC(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 10 |
| MolWt: | 628.62 | Num_heavy_atoms: | 44 |
| TPSA: | 216.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD48739
Formula: C23H30O10
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2C)C1CCOC(C)=O| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.61 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 466.48 | Num_heavy_atoms: | 33 |
| TPSA: | 137.82 | NumAromaticRings: | 0 |
