Glycoside
...
GD007177

Name:
None

Formula:
C45H69O16N12F

Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](COCc3cn(CCN4CCN(c5cc6c(cc5F)c(=O)c(C(=O)O)cn6C5CC5)CC4)nn3)O[C@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CN)[C@H](O)[C@H](O)[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@H](O)[C@H]1O

Aglycone:
COCc1cn(CCN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)nn1.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:
NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 9
HBD: 19 FractionCSP3: 0.73
AlogP: -6.77 Num_rotatable_bonds: 18
MolWt: 1053.11 Num_heavy_atoms: 74
TPSA: 438.6 NumAromaticRings: 3

Unique Aglycone
AD00009
Formula: C6H14O3N2

Smiles:
NC1CC(N)C(O)C(O)C1O
HBA: 5 RingCount: 1
HBD: 7 FractionCSP3: 1.0
AlogP: -2.87 Num_rotatable_bonds: 0
MolWt: 162.19 Num_heavy_atoms: 11
TPSA: 112.73 NumAromaticRings: 0
AD05862
Formula: C23H27O4N6F

Smiles:
COCc1cn(CCN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)nn1
HBA: 10 RingCount: 5
HBD: 1 FractionCSP3: 0.48
AlogP: 1.73 Num_rotatable_bonds: 8
MolWt: 470.51 Num_heavy_atoms: 34
TPSA: 105.72 NumAromaticRings: 3

Sugarmoiety
SD00021

NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1O