Glycoside
...
GD025919

Name:
None

Formula:
C62H82O30N6

Smiles:
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)Nc1ccc(O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1

Aglycone:
NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)Nc1ccc(O)cc1

Sugarmoiety:
OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 36 RingCount: 10
HBD: 23 FractionCSP3: 0.58
AlogP: -8.22 Num_rotatable_bonds: 27
MolWt: 1391.35 Num_heavy_atoms: 98
TPSA: 577.95 NumAromaticRings: 5

Unique Aglycone
AD17127
Formula: C32H32O5N6

Smiles:
NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)Nc1ccc(O)cc1
HBA: 11 RingCount: 5
HBD: 8 FractionCSP3: 0.19
AlogP: 3.01 Num_rotatable_bonds: 12
MolWt: 580.65 Num_heavy_atoms: 43
TPSA: 182.2 NumAromaticRings: 5

Sugarmoiety
SD01945

OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O