Glycoside
GD137508
Name:
(r)-2-((2s,3s,4s,5s,6s)-6-(((2r,3r,4r,5s,7s,9r,10r)-3,9-dimethoxy-2-((2s,2'r,5r,5'r)-5'-((2s,3s,4s,5r,6s)-6-methoxy-4-(((2r,5s,6r)-5-methoxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)-3,5,6-trimethyltetrahydro-2h-pyran-2-yl)octahydro-[2,2'-bifuran]-5-yl)-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl)methyl)-2-hydroxy-4,5-dimethoxy-3,5-dimethyltetrahydro-2h-pyran-2-yl)-2-hydroxyacetic acidFormula:
C49H84O18Smiles:
COC1CCC(OC2C(C)C(C3CCC(C4CCC(C5(C)OC6(OC(CC7OC(O)(C(O)C(=O)O)C(C)C(OC)C7(C)OC)CC(OC)C6C)C(C)C5OC)O4)O3)OC(C)(OC)C2C)OC1CAglycone:
COC1CCC(OC2C(C)C(C3CCC(C4CCC(C5(C)OC6(OC(C)CC(OC)C6C)C(C)C5OC)O4)O3)OC(C)(OC)C2C)OC1C.O=C(O)COSugarmoiety:
COC1C(C)C(O)(O)OC(O)C1(C)OCOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.98 |
| AlogP: | 4.6 | Num_rotatable_bonds: | 15 |
| MolWt: | 961.19 | Num_heavy_atoms: | 67 |
| TPSA: | 206.98 | 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 |
AD55551
Formula: C38H66O11
Smiles:
COC1CCC(OC2C(C)C(C3CCC(C4CCC(C5(C)OC6(OC(C)CC(OC)C6C)C(C)C5OC)O4)O3)OC(C)(OC)C2C)OC1C| HBA: | 11 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 5.64 | Num_rotatable_bonds: | 9 |
| MolWt: | 698.94 | Num_heavy_atoms: | 49 |
| TPSA: | 101.53 | NumAromaticRings: | 0 |
