Glycoside
...
GD039979

Name:
n-[[1-[(3s,3ar,6s,6ar)-6-[4-[[[4-[[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-4-oxidanylidene-butanoyl]amino]methyl]-1,2,3-triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3-triazol-4-yl]methyl]-n'-[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]butanediamide

Formula:
C32H48O16N10

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

Aglycone:
NC(=O)CCC(=O)NCc1cn(C2COC3C2OCC3n2cc(CNC(=O)CCC(N)=O)nn2)nn1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 6
HBD: 12 FractionCSP3: 0.75
AlogP: -7.93 Num_rotatable_bonds: 16
MolWt: 828.79 Num_heavy_atoms: 58
TPSA: 376.58 NumAromaticRings: 2

Unique Aglycone
AD24622
Formula: C20H28O6N10

Smiles:
NC(=O)CCC(=O)NCc1cn(C2COC3C2OCC3n2cc(CNC(=O)CCC(N)=O)nn2)nn1
HBA: 16 RingCount: 4
HBD: 6 FractionCSP3: 0.6
AlogP: -2.79 Num_rotatable_bonds: 12
MolWt: 504.51 Num_heavy_atoms: 36
TPSA: 224.26 NumAromaticRings: 2

Sugarmoiety
SD00019

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O