Glycoside
GD010948
Name:
NoneFormula:
C36H41O15NSmiles:
COc1cc(O)c2c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c3c(c4c2c1[C@@]1(C4)C(C)=CCCC1(C)C)[C@H](O)[C@]1(O)CC(O)=C(C(N)=O)C(=O)[C@@]1(O)C3=OAglycone:
COc1cc(O)c2c(O)c3c(c4c2c1C1(C4)C(C)=CCCC1(C)C)C(O)C1(O)CC(O)=C(C(N)=O)C(=O)C1(O)C3=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.53 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 727.72 | Num_heavy_atoms: | 52 |
| TPSA: | 286.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD08398
Formula: C30H31O10N
Smiles:
COc1cc(O)c2c(O)c3c(c4c2c1C1(C4)C(C)=CCCC1(C)C)C(O)C1(O)CC(O)=C(C(N)=O)C(=O)C1(O)C3=O| HBA: | 11 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 565.58 | Num_heavy_atoms: | 41 |
| TPSA: | 207.84 | NumAromaticRings: | 2 |
