Glycoside
...
GD036647

Name:
None

Formula:
C38H50O12N4

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)CCCc2cc3ccc4cccc5ccc(c2)c3c45)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CNC(=O)CCCc1cc2ccc3cccc4ccc(c1)c2c34.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: 16 RingCount: 7
HBD: 14 FractionCSP3: 0.55
AlogP: -2.21 Num_rotatable_bonds: 11
MolWt: 754.83 Num_heavy_atoms: 54
TPSA: 285.69 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
AD23107
Formula: C21H19ON

Smiles:
CNC(=O)CCCc1cc2ccc3cccc4ccc(c1)c2c34
HBA: 2 RingCount: 4
HBD: 1 FractionCSP3: 0.19
AlogP: 4.65 Num_rotatable_bonds: 4
MolWt: 301.39 Num_heavy_atoms: 23
TPSA: 29.1 NumAromaticRings: 4

Sugarmoiety
SD01564

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