Glycoside
...
GD016758

Name:
None

Formula:
C50H21O5N4F19S

Smiles:
OC[C@@H]1O[C@H](Sc2c(F)c(F)c(-c3c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc([nH]5)c(-c5c(F)c(F)c(F)c(F)c5F)c5nc(c(-c6c(F)c(F)c(F)c(F)c6F)c6ccc3[nH]6)C=C5)C=C4)c(F)c2F)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
Fc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(S)c(F)c4F)c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 9 RingCount: 10
HBD: 6 FractionCSP3: 0.12
AlogP: 11.86 Num_rotatable_bonds: 7
MolWt: 1150.77 Num_heavy_atoms: 79
TPSA: 147.51 NumAromaticRings: 7

Unique Aglycone
AD01744
Formula: C44H11N4F19S

Smiles:
Fc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(S)c(F)c4F)c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F
HBA: 4 RingCount: 9
HBD: 2 FractionCSP3: 0.0
AlogP: 14.26 Num_rotatable_bonds: 4
MolWt: 988.63 Num_heavy_atoms: 68
TPSA: 57.36 NumAromaticRings: 7

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O