Glycoside
...
GD025513

Name:
None

Formula:
C66H92O24N10F4S2

Smiles:
CC(=Cc1cc(F)c(Oc2ccc(S(=O)(=O)NCCOCCOCCOCCOCCOCCOCCNC(=O)C(O)C(O)C(=O)NCCOCCOCCOCCOCCOCCOCCNS(=O)(=O)c3ccc(Oc4c(F)cc(C=C(C)C(=O)N=C(N)N)cc4F)cc3)cc2)c(F)c1)C(=O)N=C(N)N

Aglycone:
CC(=Cc1cc(F)c(Oc2ccc(S(=O)(=O)NCCOCCOCCOCCOCCOCCOCCN)cc2)c(F)c1)C(=O)N=C(N)N.CC(=Cc1cc(F)c(Oc2ccc(S(=O)(=O)NCCOCCOCCOCCOCCOCCOCCN)cc2)c(F)c1)C(=O)N=C(N)N

Sugarmoiety:
O=C(O)C(O)C(O)C(=O)O

Other Identifiers

Properties
HBA: 34 RingCount: 4
HBD: 14 FractionCSP3: 0.48
AlogP: 0.64 Num_rotatable_bonds: 57
MolWt: 1549.63 Num_heavy_atoms: 106
TPSA: 483.16 NumAromaticRings: 4

Unique Aglycone
AD15772
Formula: C31H45O10N5F2S

Smiles:
CC(=Cc1cc(F)c(Oc2ccc(S(=O)(=O)NCCOCCOCCOCCOCCOCCOCCN)cc2)c(F)c1)C(=O)N=C(N)N
HBA: 15 RingCount: 2
HBD: 7 FractionCSP3: 0.48
AlogP: 1.3 Num_rotatable_bonds: 26
MolWt: 717.79 Num_heavy_atoms: 49
TPSA: 218.27 NumAromaticRings: 2

Sugarmoiety
SD00169

O=C(O)C(O)C(O)C(=O)O