Glycoside
GD128507
Name:
1-hydroxy-3-(methoxycarbonyl)-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-6-yl 3-ethenyl-4-(2-oxoethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C27H36O14Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC2CC3C=C(C(=O)OC)OC(O)C3C2C)C1CC=OAglycone:
C=CC1C(O)OC=C(C(=O)OC2CC3C=C(C(=O)OC)OC(O)C3C2C)C1CC=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 584.57 | Num_heavy_atoms: | 41 |
| TPSA: | 207.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD52051
Formula: C21H26O9
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CC3C=C(C(=O)OC)OC(O)C3C2C)C1CC=O| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 422.43 | Num_heavy_atoms: | 30 |
| TPSA: | 128.59 | NumAromaticRings: | 0 |
