Glycoside
GD032053
Name:
NoneFormula:
C36H35O8N4F2ClSmiles:
C[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(NC3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)cc2NC1=OAglycone:
CC1CCCC(N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(N)cc2NC1=OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 713.13 | Num_heavy_atoms: | 50 |
| TPSA: | 181.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD00815
Formula: C30H27O2N4F2Cl
Smiles:
CC1CCCC(N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(N)cc2NC1=O| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | 6.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 537.01 | Num_heavy_atoms: | 38 |
| TPSA: | 88.32 | NumAromaticRings: | 3 |
