Glycoside
GD158163
Name:
2-[3-ethenyl-5-({[4-(methoxycarbonyl)-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-6-yl]oxy}carbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]acetic acidFormula:
C33H46O20Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(OC4OC(CO)C(O)C(O)C4O)C3C2C)C1CC(=O)OAglycone:
C=CC1C(O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2C)C1CC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.73 |
| AlogP: | -3.65 | Num_rotatable_bonds: | 12 |
| MolWt: | 762.71 | Num_heavy_atoms: | 53 |
| TPSA: | 307.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD62455
Formula: C21H26O10
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2C)C1CC(=O)O| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 438.43 | Num_heavy_atoms: | 31 |
| TPSA: | 148.82 | NumAromaticRings: | 0 |
