Glycoside
GD128696
Name:
2-{6-[4-(2,6-dihydroxy-6-{hydroxy[5'-(6-hydroxy-4-methoxy-3,5,6-trimethyloxan-2-yl)-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]methyl}-3-methyl-5-(2-methylpropyl)-3,6-dihydro-2H-pyran-2-yl)-3-oxopentan-2-yl]-2,3-dihydroxy-4-methoxy-3,5-dimethyloxan-2-yl}propanoic acidFormula:
C46H78O16Smiles:
COC1C(C)C(C2CC(C)C(C3(C)CCC(C(O)C4(O)OC(O)(C(C)C(=O)C(C)C5OC(O)(C(C)C(=O)O)C(C)(O)C(OC)C5C)C(C)C=C4CC(C)C)O3)O2)OC(C)(O)C1CAglycone:
CCC(=O)C(C)C1(O)OC(O)(C(O)C2CCC(C)(C3OC(C4OC(C)(O)C(C)C(OC)C4C)CC3C)O2)C(CC(C)C)=CC1C.CCC(=O)OSugarmoiety:
COC1C(O)OC(O)(O)C(C)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 14 |
| MolWt: | 887.11 | Num_heavy_atoms: | 62 |
| TPSA: | 240.36 | 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 |
AD52127
Formula: C35H60O10
Smiles:
CCC(=O)C(C)C1(O)OC(O)(C(O)C2CCC(C)(C3OC(C4OC(C)(O)C(C)C(OC)C4C)CC3C)O2)C(CC(C)C)=CC1C| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 10 |
| MolWt: | 640.86 | Num_heavy_atoms: | 45 |
| TPSA: | 144.14 | NumAromaticRings: | 0 |
