Glycoside
GD147625
Name:
Lanceocrepidiaside DFormula:
C29H32O11Smiles:
C=C1C(=O)OC2C1CCC(C)=C1C(=O)C=C(COC3OC(COC(=O)Cc4ccc(O)cc4)C(O)C(O)C3O)C12Aglycone:
C=C1C(=O)OC2C1CCC(C)=C1C(=O)C=C(CO)C12.COC(=O)Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 556.56 | Num_heavy_atoms: | 40 |
| TPSA: | 169.05 | 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 |
AD49943
Formula: C15H16O4
Smiles:
C=C1C(=O)OC2C1CCC(C)=C1C(=O)C=C(CO)C12| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 260.29 | Num_heavy_atoms: | 19 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
