Glycoside

GD004211
Name:
NoneFormula:
C32H31O10N2F3Smiles:
Cc1cc(O)c2c(c1)C1OC(=O)[C@H](CCCCNC(=O)C(F)(F)F)N1C1=C2C(=O)c2cccc(O[C@@H]3C[C@H](O)[C@H](O)[C@H](C)O3)c2C1=OAglycone:
Cc1cc(O)c2c(c1)C1OC(=O)C(CCCCNC(=O)C(F)(F)F)N1C1=C2C(=O)c2cccc(O)c2C1=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 6 |
HBD: | 4 | FractionCSP3: | 0.44 |
AlogP: | 2.81 | Num_rotatable_bonds: | 7 |
MolWt: | 660.6 | Num_heavy_atoms: | 47 |
TPSA: | 171.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD03709
Formula: C26H21O7N2F3
Smiles:
Cc1cc(O)c2c(c1)C1OC(=O)C(CCCCNC(=O)C(F)(F)F)N1C1=C2C(=O)c2cccc(O)c2C1=OHBA: | 9 | RingCount: | 5 |
HBD: | 3 | FractionCSP3: | 0.31 |
AlogP: | 3.28 | Num_rotatable_bonds: | 5 |
MolWt: | 530.46 | Num_heavy_atoms: | 38 |
TPSA: | 133.24 | NumAromaticRings: | 2 |