Glycoside
GD137545
Name:
{3,4,5-trihydroxy-6-[(3-methoxy-5,7-dimethylnaphthalen-2-yl)oxy]oxan-2-yl}methyl 7-ethyl-1,1,7-trimethyl-tetradecahydrophenanthrene-4a-carboxylateFormula:
C39H56O8Smiles:
CCC1(C)CCC2C(CCC3C(C)(C)CCCC23C(=O)OCC2OC(Oc3cc4cc(C)cc(C)c4cc3OC)C(O)C(O)C2O)C1Aglycone:
CCC1(C)CCC2C(CCC3C(C)(C)CCCC23C(=O)OC)C1.COc1cc2c(C)cc(C)cc2cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.72 |
| AlogP: | 6.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 652.87 | Num_heavy_atoms: | 47 |
| TPSA: | 114.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD55563
Formula: C21H36O2
Smiles:
CCC1(C)CCC2C(CCC3C(C)(C)CCCC23C(=O)OC)C1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.95 |
| AlogP: | 5.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 320.52 | Num_heavy_atoms: | 23 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD55564
Formula: C13H14O2
Smiles:
COc1cc2c(C)cc(C)cc2cc1O| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 202.25 | Num_heavy_atoms: | 15 |
| TPSA: | 29.46 | NumAromaticRings: | 2 |
