Glycoside
GD035304
Name:
NoneFormula:
C39H46O13N4FClSmiles:
CC(=O)OC[C@@H]1OC(OCCCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2OCCCN2CCOCC2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.OCCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 18 |
| MolWt: | 821.25 | Num_heavy_atoms: | 57 |
| TPSA: | 192.4 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD22349
Formula: C25H28O4N4FCl
Smiles:
OCCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 4.03 | Num_rotatable_bonds: | 11 |
| MolWt: | 490.96 | Num_heavy_atoms: | 34 |
| TPSA: | 88.97 | NumAromaticRings: | 3 |
