Glycoside
...
GD033248

Name:
None

Formula:
C38H46O15N4

Smiles:
N[C@H]1C[C@@H](N)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](N)[C@@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CNC(=O)c2ccccc2-c2c3ccc(=O)cc-3oc3cc(O)ccc23)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:
NC1C(O)C(O)OC(CO)C1O.OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 15 FractionCSP3: 0.47
AlogP: -3.24 Num_rotatable_bonds: 9
MolWt: 798.8 Num_heavy_atoms: 57
TPSA: 336.13 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
AD19011
Formula: C21H15O4N

Smiles:
CNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12
HBA: 5 RingCount: 4
HBD: 2 FractionCSP3: 0.05
AlogP: 3.63 Num_rotatable_bonds: 2
MolWt: 345.35 Num_heavy_atoms: 26
TPSA: 79.54 NumAromaticRings: 2

Sugarmoiety
SD01564

NC1C(O)C(O)OC(CO)C1O.OC1OC(O)C(O)C(O)C1O