Glycoside
GD093256
Name:
NoneFormula:
C24H25O7NSmiles:
O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)NC1CCCCC1)c1ccccc1Aglycone:
NC1CCCCC1.O=Cc1ccccc1.O=Cc1ccccc1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 8 |
| MolWt: | 439.46 | Num_heavy_atoms: | 32 |
| TPSA: | 119.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD01696
Formula: C7H6O
Smiles:
O=Cc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 106.12 | Num_heavy_atoms: | 8 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
AD16038
Formula: C6H13N
Smiles:
NC1CCCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 99.18 | Num_heavy_atoms: | 7 |
| TPSA: | 26.02 | NumAromaticRings: | 0 |