Glycoside
GD120954
Name:
2-hydroxy-2-(2-hydroxy-4,5-dimethoxy-6-{[9-methoxy-2-(5'-{4-[(5-methoxy-6-methyloxan-2-yl)oxy]-2,3,5,6,6-pentamethyloxan-2-yl}-5'-methyl-[2,2'-bioxolan]-5-yl)-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methyl}-3,5-dimethyloxan-2-yl)acetic acidFormula:
C50H86O16Smiles:
COC1CCC(OC2C(C)C(C)(C)OC(C)(C3(C)CCC(C4CCC(C5(C)CC(C)C6(OC(CC7OC(O)(C(O)C(=O)O)C(C)C(OC)C7(C)OC)CC(OC)C6C)O5)O4)O3)C2C)OC1CAglycone:
COC1CCC(OC2C(C)C(C)(C)OC(C)(C3(C)CCC(C4CCC(C5(C)CC(C)C6(OC(C)CC(OC)C6C)O5)O4)O3)C2C)OC1C.O=C(O)COSugarmoiety:
COC1C(C)C(O)(O)OC(O)C1(C)OCOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.98 |
| AlogP: | 6.17 | Num_rotatable_bonds: | 13 |
| MolWt: | 943.22 | Num_heavy_atoms: | 66 |
| TPSA: | 188.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD02329
Formula: C2H4O3
Smiles:
O=C(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 76.05 | Num_heavy_atoms: | 5 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD48641
Formula: C39H68O9
Smiles:
COC1CCC(OC2C(C)C(C)(C)OC(C)(C3(C)CCC(C4CCC(C5(C)CC(C)C6(OC(C)CC(OC)C6C)O5)O4)O3)C2C)OC1C| HBA: | 9 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 7.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 680.96 | Num_heavy_atoms: | 48 |
| TPSA: | 83.07 | NumAromaticRings: | 0 |
