Glycoside
...
GD033196

Name:
None

Formula:
C39H50O13N7F3

Smiles:
NC[C@@H]1O[C@H](O[C@H]([C@H](NCCCC(=O)NCc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)C(N)=O)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:
NC(=O)C(CO)NCCCC(=O)NCc1ccc(N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)cc1.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 6
HBD: 11 FractionCSP3: 0.54
AlogP: -1.57 Num_rotatable_bonds: 18
MolWt: 881.86 Num_heavy_atoms: 62
TPSA: 295.41 NumAromaticRings: 3

Unique Aglycone
AD00106
Formula: C4H4O2N2

Smiles:
O=c1cc[nH]c(=O)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.94 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 65.72 NumAromaticRings: 1
AD21210
Formula: C26H33O5N4F3

Smiles:
NC(=O)C(CO)NCCCC(=O)NCc1ccc(N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)cc1
HBA: 9 RingCount: 3
HBD: 5 FractionCSP3: 0.46
AlogP: 2.47 Num_rotatable_bonds: 13
MolWt: 538.57 Num_heavy_atoms: 38
TPSA: 126.15 NumAromaticRings: 2

Sugarmoiety
SD00045

NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1O