Glycoside
GD156990
Name:
Sennidin CFormula:
C42H40O19Smiles:
O=C(O)c1cc(O)c2c(c1)C(C1c3cc(CO)cc(O)c3C(=O)c3c(OC4OC(CO)C(O)C(O)C4O)cccc31)c1cccc(OC3OC(CO)C(O)C(O)C3O)c1C2=OAglycone:
O=C(O)c1cc(O)c2c(c1)C(C1c3cccc(O)c3C(=O)c3c(O)cc(CO)cc31)c1cccc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.36 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 848.76 | Num_heavy_atoms: | 61 |
| TPSA: | 330.89 | NumAromaticRings: | 4 |
Unique Aglycone
AD53767
Formula: C30H20O9
Smiles:
O=C(O)c1cc(O)c2c(c1)C(C1c3cccc(O)c3C(=O)c3c(O)cc(CO)cc31)c1cccc(O)c1C2=O| HBA: | 9 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.1 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 524.48 | Num_heavy_atoms: | 39 |
| TPSA: | 172.59 | NumAromaticRings: | 4 |
