Glycoside
GD119228
Name:
Lanceocrepidiaside FFormula:
C29H34O12Smiles:
C=C1C(=O)OC2C1CCC(C)C1(O)C(=O)C=C(COC3OC(COC(=O)Cc4ccc(O)cc4)C(O)C(O)C3O)C21Aglycone:
C=C1C(=O)OC2C1CCC(C)C1(O)C(=O)C=C(CO)C21.COC(=O)Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 574.58 | Num_heavy_atoms: | 41 |
| TPSA: | 189.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD02427
Formula: C9H10O3
Smiles:
COC(=O)Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD47732
Formula: C15H18O5
Smiles:
C=C1C(=O)OC2C1CCC(C)C1(O)C(=O)C=C(CO)C21| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 278.3 | Num_heavy_atoms: | 20 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
