Glycoside
GD125200
Name:
Lavaudioside CFormula:
C46H58O26Smiles:
CC1C(OC(=O)C=Cc2ccc(O)c(O)c2)CC2C(C(=O)OCC(O)C(O)C(O)C(O)COC3OC(COC(=O)C=Cc4ccc(O)c(O)c4)C(O)C(O)C3O)=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC1C(OC(=O)C=Cc2ccc(O)c(O)c2)CC2C(C=O)=COC(O)C21.COC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OOCC(O)C(O)C(O)C(O)COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 6 |
| HBD: | 15 | FractionCSP3: | 0.54 |
| AlogP: | -4.17 | Num_rotatable_bonds: | 19 |
| MolWt: | 1026.94 | Num_heavy_atoms: | 72 |
| TPSA: | 428.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD50628
Formula: C19H20O7
Smiles:
CC1C(OC(=O)C=Cc2ccc(O)c(O)c2)CC2C(C=O)=COC(O)C21| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.36 | Num_heavy_atoms: | 26 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
