Glycoside
GD148178
Name:
Langkocycline A1Formula:
C31H36O12Smiles:
CC1OC(OC23C(=O)CC(C)(O)CC2(O)C=CC2=C3C(=O)c3cccc(O)c3C2=O)CCC1OC1CC(O)C(O)C(C)O1Aglycone:
CC1OC(OC23C(=O)CC(C)(O)CC2(O)C=CC2=C3C(=O)c3cccc(O)c3C2=O)CCC1OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 600.62 | Num_heavy_atoms: | 43 |
| TPSA: | 189.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD48403
Formula: C25H26O9
Smiles:
CC1OC(OC23C(=O)CC(C)(O)CC2(O)C=CC2=C3C(=O)c3cccc(O)c3C2=O)CCC1O| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 470.47 | Num_heavy_atoms: | 34 |
| TPSA: | 150.59 | NumAromaticRings: | 1 |
