Glycoside
...
GD003092

Name:
None

Formula:
C32H37O14N5

Smiles:
NC[C@@H]1O[C@H](O[C@H]([C@H](N)C(=O)N[C@H](COC(=O)c2ccc(-c3ccccc3)cc2)C(=O)O)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:
NC(CO)C(=O)NC(COC(=O)c1ccc(-c2ccccc2)cc1)C(=O)O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 5
HBD: 11 FractionCSP3: 0.41
AlogP: -3.63 Num_rotatable_bonds: 13
MolWt: 715.67 Num_heavy_atoms: 51
TPSA: 308.21 NumAromaticRings: 3

Unique Aglycone
AD00106
Formula: C4H4O2N2

Smiles:
O=c1cc[nH]c(=O)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.94 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 65.72 NumAromaticRings: 1
AD02848
Formula: C19H20O6N2

Smiles:
NC(CO)C(=O)NC(COC(=O)c1ccc(-c2ccccc2)cc1)C(=O)O
HBA: 8 RingCount: 2
HBD: 5 FractionCSP3: 0.21
AlogP: 0.4 Num_rotatable_bonds: 8
MolWt: 372.38 Num_heavy_atoms: 27
TPSA: 138.95 NumAromaticRings: 2

Sugarmoiety
SD00045

NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1O