Glycoside
...
GD003048

Name:
None

Formula:
C51H72O16N13F

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)Nc2ccc(-c3cn(CCCN4CCN(c5cc6c(cc5F)c(=O)c(C(=O)O)cn6C5CC5)CC4)nn3)cc2)[C@H](N)[C@H](O)[C@H]1O

Aglycone:
NC1CC(N)C(O)C(O)C1O.O=CNc1ccc(-c2cn(CCCN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)nn2)cc1

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: 10
HBD: 20 FractionCSP3: 0.63
AlogP: -5.29 Num_rotatable_bonds: 18
MolWt: 1142.21 Num_heavy_atoms: 81
TPSA: 458.47 NumAromaticRings: 4

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
AD02810
Formula: C29H30O4N7F

Smiles:
O=CNc1ccc(-c2cn(CCCN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)nn2)cc1
HBA: 11 RingCount: 6
HBD: 2 FractionCSP3: 0.34
AlogP: 3.21 Num_rotatable_bonds: 10
MolWt: 559.6 Num_heavy_atoms: 41
TPSA: 125.59 NumAromaticRings: 4

Sugarmoiety
SD00021

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