Glycoside
GD026482
Name:
NoneFormula:
C27H26O6N3FSmiles:
O=c1ccn([C@@H]2O[C@H](CNCc3c(OCc4ccccc4F)ccc4ccccc34)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
CNCc1c(OCc2ccccc2F)ccc2ccccc12.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 507.52 | Num_heavy_atoms: | 37 |
| TPSA: | 125.81 | NumAromaticRings: | 4 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD14945
Formula: C19H18ONF
Smiles:
CNCc1c(OCc2ccccc2F)ccc2ccccc12| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.16 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 295.36 | Num_heavy_atoms: | 22 |
| TPSA: | 21.26 | NumAromaticRings: | 3 |
