Glycoside
...
GD039975

Name:
(2r,3r)-n-[(1-{(3s,3ar,6s,6ar)-6-[4-({[(2r,3r)-2,3-dihydroxy-4-oxo-4-{[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]amino}butanoyl]amino}methyl)-1h-1,2,3-triazol-1-yl]hexahydrofuro[3,2-b]furan-3-yl}-1h-1,2,3-triazol-4-yl)methyl]-2,3-dihydroxy-n'-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]butanediamide (non-preferred name)

Formula:
C32H48O20N10

Smiles:
O=C(NCc1cn([C@@H]2CO[C@@H]3[C@H]2OC[C@H]3n2cc(CNC(=O)[C@@H](O)[C@@H](O)C(=O)N[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)nn2)nn1)[C@@H](O)[C@@H](O)C(=O)N[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O

Aglycone:
[NH]Cc1cn(C2COC3C2OCC3n2cc(C[NH])nn2)nn1

Sugarmoiety:
O=CC(O)C(O)C(=O)NC1OC(CO)C(O)C(O)C1O.O=CC(O)C(O)C(=O)NC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 30 RingCount: 6
HBD: 16 FractionCSP3: 0.75
AlogP: -12.04 Num_rotatable_bonds: 16
MolWt: 892.79 Num_heavy_atoms: 62
TPSA: 457.5 NumAromaticRings: 2

Unique Aglycone
AD24620
Formula: C12H16O2N8

Smiles:
[NH]Cc1cn(C2COC3C2OCC3n2cc(C[NH])nn2)nn1
HBA: 10 RingCount: 4
HBD: 2 FractionCSP3: 0.67
AlogP: -0.98 Num_rotatable_bonds: 4
MolWt: 304.31 Num_heavy_atoms: 22
TPSA: 127.48 NumAromaticRings: 2

Sugarmoiety
SD03540

O=CC(O)C(O)C(=O)NC1OC(CO)C(O)C(O)C1O.O=CC(O)C(O)C(=O)NC1OC(CO)C(O)C(O)C1O