Glycoside
GD140801
Name:
Lanceocrepidiaside CFormula:
C29H34O11Smiles:
C=C1C(=O)OC2C1CC(OC1OC(CO)C(O)C(O)C1O)C(C)=C1CC=C(COC(=O)Cc3ccc(O)cc3)C12Aglycone:
C=C1C(=O)OC2C1CC(O)C(C)=C1CC=C(COC(=O)Cc3ccc(O)cc3)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 7 |
| MolWt: | 558.58 | Num_heavy_atoms: | 40 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD56768
Formula: C23H24O6
Smiles:
C=C1C(=O)OC2C1CC(O)C(C)=C1CC=C(COC(=O)Cc3ccc(O)cc3)C12| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 396.44 | Num_heavy_atoms: | 29 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
