Glycoside
...
GD012821

Name:
None

Formula:
C37H60O14N6

Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3O)[C@H]2OCCNCCc2ccc3ccccc3c2)[C@H](N)[C@H](O)[C@H]1O

Aglycone:
NC1CC(N)C(O)C(O)C1O.OCCNCCc1ccc2ccccc2c1

Sugarmoiety:
NC1C(O)OC(CO)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 6
HBD: 18 FractionCSP3: 0.73
AlogP: -5.85 Num_rotatable_bonds: 16
MolWt: 812.91 Num_heavy_atoms: 57
TPSA: 348.35 NumAromaticRings: 2

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
AD09632
Formula: C14H17ON

Smiles:
OCCNCCc1ccc2ccccc2c1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.29
AlogP: 1.96 Num_rotatable_bonds: 5
MolWt: 215.3 Num_heavy_atoms: 16
TPSA: 32.26 NumAromaticRings: 2

Sugarmoiety
SD00445

NC1C(O)OC(CO)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1O