Glycoside
GD001522
Name:
NoneFormula:
C34H44O11Smiles:
CC(=O)OC1=C2C(C)(C)[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)C=C[C@@]2(C)[C@@H]2[C@H](O)C[C@]3(C)[C@H](c4ccoc4)C[C@@H]4O[C@@]43[C@@]2(C)C1=OAglycone:
CC(=O)OC1=C2C(C)(C)C(O)C=CC2(C)C2C(O)CC3(C)C(c4ccoc4)CC4OC43C2(C)C1=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 628.72 | Num_heavy_atoms: | 45 |
| TPSA: | 168.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD01520
Formula: C28H34O7
Smiles:
CC(=O)OC1=C2C(C)(C)C(O)C=CC2(C)C2C(O)CC3(C)C(c4ccoc4)CC4OC43C2(C)C1=O| HBA: | 7 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.64 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 482.57 | Num_heavy_atoms: | 35 |
| TPSA: | 109.5 | NumAromaticRings: | 1 |
