Glycoside
GD013765
Name:
NoneFormula:
C36H33O12NSmiles:
COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(Nc1ccc(OC4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc1)=CC3=O)C2=OAglycone:
COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(Nc1ccc(O)cc1)=CC3=O)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 671.66 | Num_heavy_atoms: | 49 |
| TPSA: | 198.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD09139
Formula: C30H23O7N
Smiles:
COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(Nc1ccc(O)cc1)=CC3=O)C2=O| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 4.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 509.51 | Num_heavy_atoms: | 38 |
| TPSA: | 119.0 | NumAromaticRings: | 3 |
