Glycoside
...
GD016613

Name:
None

Formula:
C42H42O17N8

Smiles:
CC(=O)N[C@H]1[C@H](O[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)[O-])C(N)=O)[C@@H](O)[C@@H](COc2nc(O)nc(N=C3C=CC(=C4c5ccc(O)cc5Oc5cc(O)ccc54)C(C(=O)[O-])=C3)n2)O[C@H]1O

Aglycone:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)[O-])C(N)=O.COc1nc(O)nc(N=C2C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)[O-])=C2)n1

Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 6
HBD: 10 FractionCSP3: 0.33
AlogP: -3.34 Num_rotatable_bonds: 16
MolWt: 930.84 Num_heavy_atoms: 67
TPSA: 399.75 NumAromaticRings: 3

Unique Aglycone
AD11942
Formula: C11H18O6N3

Smiles:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)[O-])C(N)=O
HBA: 9 RingCount: 0
HBD: 5 FractionCSP3: 0.64
AlogP: -3.63 Num_rotatable_bonds: 8
MolWt: 288.28 Num_heavy_atoms: 20
TPSA: 161.65 NumAromaticRings: 0
AD11943
Formula: C24H15O7N4

Smiles:
COc1nc(O)nc(N=C2C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)[O-])=C2)n1
HBA: 11 RingCount: 5
HBD: 3 FractionCSP3: 0.04
AlogP: 1.92 Num_rotatable_bonds: 3
MolWt: 471.41 Num_heavy_atoms: 35
TPSA: 170.31 NumAromaticRings: 3

Sugarmoiety
SD00020

CC(=O)NC1C(O)OC(O)C(O)C1O