Glycoside
GD143907
Name:
4,5-dihydroxy-2-(hydroxymethyl)-6-[(1-methoxy-6,7-dimethylnaphthalen-2-yl)oxy]oxan-3-yl 7-ethyl-1,1,7-trimethyl-tetradecahydrophenanthrene-4a-carboxylateFormula:
C39H56O8Smiles:
CCC1(C)CCC2C(CCC3C(C)(C)CCCC23C(=O)OC2C(CO)OC(Oc3ccc4cc(C)c(C)cc4c3OC)C(O)C2O)C1Aglycone:
CCC1(C)CCC2C(CCC3C(C)(C)CCCC23C(=O)O)C1.COc1c(O)ccc2cc(C)c(C)cc12Sugarmoiety:
OCC1OC(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
AD55674
Formula: C20H34O2
Smiles:
CCC1(C)CCC2C(CCC3C(C)(C)CCCC23C(=O)O)C1| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 5.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 306.49 | Num_heavy_atoms: | 22 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD57856
Formula: C13H14O2
Smiles:
COc1c(O)ccc2cc(C)c(C)cc12| 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 |
