Glycoside
GD114428
Name:
6-{[5-carboxy-27-hydroxy-6-(methoxymethyl)-1,2,8,21,21,26-hexamethylheptacyclo[16.6.2.1â¸,¹².0²,¹³.0âµ,¹².0¹âµ,²âµ.0²²,²â¶]heptacosa-10,13-dien-20-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C42H62O11Smiles:
COCC1CC2(C)CC=CC3(C4=CC5CCC6CC(OC7OC(C(=O)O)C(O)C(O)C7O)C(C)(C)C7CCC(C)(C5C67C)C4(C)CCC13C(=O)O)C2OAglycone:
COCC1CC2(C)CC=CC3(C4=CC5CCC6CC(O)C(C)(C)C7CCC(C)(C5C67C)C4(C)CCC13C(=O)O)C2OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 4.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 742.95 | Num_heavy_atoms: | 53 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD45052
Formula: C36H54O5
Smiles:
COCC1CC2(C)CC=CC3(C4=CC5CCC6CC(O)C(C)(C)C7CCC(C)(C5C67C)C4(C)CCC13C(=O)O)C2O| HBA: | 5 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 6.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 566.82 | Num_heavy_atoms: | 41 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
