Glycoside
GD137855
Name:
4,5-dihydroxy-6-[(1-methoxy-5,7-dimethylnaphthalen-2-yl)oxy]oxan-3-yl 7-ethyl-1,1,7-trimethyl-tetradecahydrophenanthrene-4a-carboxylateFormula:
C38H54O7Smiles:
CCC1(C)CCC2C(CCC3C(C)(C)CCCC23C(=O)OC2COC(Oc3ccc4c(C)cc(C)cc4c3OC)C(O)C2O)C1Aglycone:
CCC1(C)CCC2C(CCC3C(C)(C)CCCC23C(=O)O)C1.COc1c(O)ccc2c(C)cc(C)cc12Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 7.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 622.84 | Num_heavy_atoms: | 45 |
| TPSA: | 94.45 | 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 |
AD55675
Formula: C13H14O2
Smiles:
COc1c(O)ccc2c(C)cc(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 |
