Glycoside
GD142499
Name:
Hbas#10Formula:
C22H32O8Smiles:
CC(CCCCCCC(=O)O)OC1OC(C)C(OC(=O)c2ccc(O)cc2)CC1OAglycone:
CC(O)CCCCCCC(=O)O.O=C(O)c1ccc(O)cc1Sugarmoiety:
CC1OC(O)C(O)CC1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 11 |
| MolWt: | 424.49 | Num_heavy_atoms: | 30 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD02360
Formula: C7H6O3
Smiles:
O=C(O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.12 | Num_heavy_atoms: | 10 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD49110
Formula: C9H18O3
Smiles:
CC(O)CCCCCCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 174.24 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
