Glycoside
GD150540
Name:
NoneFormula:
C23H33O9NSmiles:
CC(CCC(=O)O)OC1OC(C)C(OC(=O)CCC(O)=NCCc2ccc(O)cc2)CC1OAglycone:
CC(O)CCC(=O)O.O=C(O)CCC(O)=NCCc1ccc(O)cc1Sugarmoiety:
CC1OC(O)C(O)CC1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 12 |
| MolWt: | 467.52 | Num_heavy_atoms: | 33 |
| TPSA: | 155.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD49974
Formula: C5H10O3
Smiles:
CC(O)CCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 118.13 | Num_heavy_atoms: | 8 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD60120
Formula: C12H15O4N
Smiles:
O=C(O)CCC(O)=NCCc1ccc(O)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 237.25 | Num_heavy_atoms: | 17 |
| TPSA: | 90.12 | NumAromaticRings: | 1 |
