Glycoside
GD120088
Name:
2-[2,4-dihydroxy-6-(1-{2-[5'-(6-hydroxy-4-methoxy-3,5,6-trimethyloxan-2-yl)-2-methyl-[2,2'-bioxolan]-5-yl]-9-methoxy-2,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl}ethyl)-5-[(5-methoxy-6-methyloxan-2-yl)oxy]-3,5-dimethyloxan-2-yl]propanoic acidFormula:
C48H82O16Smiles:
COC1CCC(OC2(C)C(O)C(C)C(O)(C(C)C(=O)O)OC2C(C)C2CC(OC)C(C)C3(CCC(C)(C4CCC(C)(C5CCC(C6OC(C)(O)C(C)C(OC)C6C)O5)O4)O3)O2)OC1CAglycone:
CCC(=O)O.CCC1CC(OC)C(C)C2(CCC(C)(C3CCC(C)(C4CCC(C5OC(C)(O)C(C)C(OC)C5C)O4)O3)O2)O1.COC1CCC(O)OC1CSugarmoiety:
CC1C(O)C(C)(O)C(O)OC1(O)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.98 |
| AlogP: | 5.33 | Num_rotatable_bonds: | 12 |
| MolWt: | 915.17 | Num_heavy_atoms: | 64 |
| TPSA: | 199.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD00155
Formula: C3H6O2
Smiles:
CCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD02921
Formula: C7H14O3
Smiles:
COC1CCC(O)OC1C| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 146.19 | Num_heavy_atoms: | 10 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
AD48198
Formula: C31H54O8
Smiles:
CCC1CC(OC)C(C)C2(CCC(C)(C3CCC(C)(C4CCC(C5OC(C)(O)C(C)C(OC)C5C)O4)O3)O2)O1| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 4.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 554.77 | Num_heavy_atoms: | 39 |
| TPSA: | 84.84 | NumAromaticRings: | 0 |
