Glycoside
GD151942
Name:
2-[2-hydroxy-6-({2-[5'-(6-hydroxy-3,5,6-trimethyloxan-2-yl)-[2,2'-bioxolan]-5-yl]-3,9-dimethoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl}methyl)-4-methoxy-5-[(5-methoxy-6-methyloxan-2-yl)oxy]-3,5-dimethyloxan-2-yl]acetic acidFormula:
C47H80O16Smiles:
COC1CCC(OC2(C)C(CC3CC(OC)C(C)C4(O3)OC(C)(C3CCC(C5CCC(C6OC(C)(O)C(C)CC6C)O5)O3)C(OC)C4C)OC(O)(CC(=O)O)C(C)C2OC)OC1CAglycone:
COC1CC(C)OC2(OC(C)(C3CCC(C4CCC(C5OC(C)(O)C(C)CC5C)O4)O3)C(OC)C2C)C1C.COC1CCC(O)OC1CSugarmoiety:
COC1C(C)C(O)(CC(=O)O)OC(O)C1(C)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.98 |
| AlogP: | 5.35 | Num_rotatable_bonds: | 13 |
| MolWt: | 901.14 | Num_heavy_atoms: | 63 |
| TPSA: | 188.52 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
AD57366
Formula: C30H52O8
Smiles:
COC1CC(C)OC2(OC(C)(C3CCC(C4CCC(C5OC(C)(O)C(C)CC5C)O4)O3)C(OC)C2C)C1C| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 540.74 | Num_heavy_atoms: | 38 |
| TPSA: | 84.84 | NumAromaticRings: | 0 |
