Glycoside
GD153102
Name:
Epibreynin FFormula:
C39H54O23SSmiles:
CC1COC2(CC1OC(=O)c1ccc(O)cc1)OC1C3C(CC(O)C1(O)C2=O)C(OC1OC(C)C(O)C(O)C1OC1OC(CO)C(O)C(OC2OCC(O)(CO)C2O)C1O)CS3=OAglycone:
CC1COC2(CC1OC(=O)c1ccc(O)cc1)OC1C3C(CC(O)C1(O)C2=O)C(O)CS3=OSugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(OC3OCC(O)(CO)C3O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.79 |
| AlogP: | -5.62 | Num_rotatable_bonds: | 10 |
| MolWt: | 922.91 | Num_heavy_atoms: | 63 |
| TPSA: | 356.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD45861
Formula: C22H26O10S
Smiles:
CC1COC2(CC1OC(=O)c1ccc(O)cc1)OC1C3C(CC(O)C1(O)C2=O)C(O)CS3=O| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 482.51 | Num_heavy_atoms: | 33 |
| TPSA: | 159.82 | NumAromaticRings: | 1 |
