Glycoside
GD136273
Name:
3,3a,4-trihydroxy-4-[3-methyl-4-(3,7,7-trimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohept-2-en-1-ylidene)but-2-en-1-yl]-hexahydrofuro[3,4-b]furan-6-oneFormula:
C27H40O12Smiles:
CC(=CCC1(O)OC(=O)C2OCC(O)C21O)C=C1C=C(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)CAglycone:
CC(=CCC1(O)OC(=O)C2OCC(O)C21O)C=C1C=C(C)CC(O)CC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.74 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 556.61 | Num_heavy_atoms: | 39 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD55077
Formula: C21H30O7
Smiles:
CC(=CCC1(O)OC(=O)C2OCC(O)C21O)C=C1C=C(C)CC(O)CC1(C)C| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 394.46 | Num_heavy_atoms: | 28 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
