Glycoside
GD011872
Name:
DIINSININOLFormula:
C36H32O16Smiles:
O=C1C[C@H](c2ccc(O)c(O)c2)Oc2c1c(O)cc1c2[C@@H]2C[C@](c3ccc(O)c(O)c3)(Oc3cc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc(O)c32)O1Aglycone:
O=C1CC(c2ccc(O)c(O)c2)Oc2c1c(O)cc1c2C2CC(c3ccc(O)c(O)c3)(Oc3cc(O)cc(O)c32)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.31 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 720.64 | Num_heavy_atoms: | 52 |
| TPSA: | 265.52 | NumAromaticRings: | 4 |
Unique Aglycone
AD09008
Formula: C30H22O11
Smiles:
O=C1CC(c2ccc(O)c(O)c2)Oc2c1c(O)cc1c2C2CC(c3ccc(O)c(O)c3)(Oc3cc(O)cc(O)c32)O1| HBA: | 11 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.17 |
| AlogP: | 4.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 558.5 | Num_heavy_atoms: | 41 |
| TPSA: | 186.37 | NumAromaticRings: | 4 |
