Glycoside
GD142565
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)-5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-4-methoxy-3,5-dimethyloxan-2-yl]acetic acidFormula:
C46H78O16Smiles:
COC1CC(CC2OC(O)(CC(=O)O)C(C)C(OC)C2(C)OC2CCC(O)C(C)O2)OC2(OC(C)(C3CCC(C4CCC(C5OC(C)(O)C(C)CC5C)O4)O3)C(OC)C2C)C1CAglycone:
CC1OC(O)CCC1O.COC1CC(C)OC2(OC(C)(C3CCC(C4CCC(C5OC(C)(O)C(C)CC5C)O4)O3)C(OC)C2C)C1CSugarmoiety:
COC1C(C)C(O)(CC(=O)O)OC(O)C1(C)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.98 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 12 |
| MolWt: | 887.11 | Num_heavy_atoms: | 62 |
| TPSA: | 199.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD00171
Formula: C6H12O3
Smiles:
CC1OC(O)CCC1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 49.69 | 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 |
