Glycoside
...
GD001038

Name:
None

Formula:
C32H57O15N11

Smiles:
CC(=O)NCC1CN(Cc2cn(C[C@@H]3O[C@H](O[C@H]4[C@H](O[C@@H]5O[C@H](CN)[C@H](O)[C@H](O)[C@H]5N)[C@@H](N)C[C@@H](N)[C@H]4O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3N)nn2)C(=O)O1

Aglycone:
CC(=O)NCC1CN(Cc2cn(C)nn2)C(=O)O1.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: 26 RingCount: 6
HBD: 19 FractionCSP3: 0.88
AlogP: -9.14 Num_rotatable_bonds: 14
MolWt: 835.87 Num_heavy_atoms: 58
TPSA: 422.23 NumAromaticRings: 1

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
AD01078
Formula: C10H15O3N5

Smiles:
CC(=O)NCC1CN(Cc2cn(C)nn2)C(=O)O1
HBA: 8 RingCount: 2
HBD: 1 FractionCSP3: 0.6
AlogP: -0.73 Num_rotatable_bonds: 4
MolWt: 253.26 Num_heavy_atoms: 18
TPSA: 89.35 NumAromaticRings: 1

Sugarmoiety
SD00021

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