Glycoside
...
GD002989

Name:
None

Formula:
C45H68O16N13F

Smiles:
NC[C@@H]1O[C@H](O[C@H]2[C@H](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)O[C@H]2C(=O)NCc2cn(CCN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)nn2)[C@H](N)[C@H](O)[C@H]1O

Aglycone:
NC1CC(N)C(O)C(O)C1O.O=CNCc1cn(CCN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)nn1

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

Other Identifiers

Properties
HBA: 29 RingCount: 9
HBD: 20 FractionCSP3: 0.71
AlogP: -7.67 Num_rotatable_bonds: 17
MolWt: 1066.11 Num_heavy_atoms: 75
TPSA: 458.47 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
AD02773
Formula: C23H26O4N7F

Smiles:
O=CNCc1cn(CCN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)nn1
HBA: 11 RingCount: 5
HBD: 2 FractionCSP3: 0.43
AlogP: 0.83 Num_rotatable_bonds: 9
MolWt: 483.5 Num_heavy_atoms: 35
TPSA: 125.59 NumAromaticRings: 3

Sugarmoiety
SD00021

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