Glycoside
...
GD039395

Name:
~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-4-[[1-[[3-[(~{z})-3-[bis(azanyl)methylideneamino]prop-1-enyl]phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-prop-2-enoxy-oxan-3-yl]ethanamide

Formula:
C31H45O11N7

Smiles:
C=CCO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](OCc3cn(Cc4cccc(C=CCN=C(N)N)c4)nn3)[C@@H]2O)[C@H](O)[C@H]1NC(C)=O

Aglycone:
NC(N)=NCC=Cc1cccc(Cn2cc(CO)nn2)c1

Sugarmoiety:
C=CCOC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1NC(C)=O

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 10 FractionCSP3: 0.55
AlogP: -2.89 Num_rotatable_bonds: 16
MolWt: 691.74 Num_heavy_atoms: 49
TPSA: 271.51 NumAromaticRings: 2

Unique Aglycone
AD24391
Formula: C14H18ON6

Smiles:
NC(N)=NCC=Cc1cccc(Cn2cc(CO)nn2)c1
HBA: 7 RingCount: 2
HBD: 5 FractionCSP3: 0.21
AlogP: 0.11 Num_rotatable_bonds: 6
MolWt: 286.34 Num_heavy_atoms: 21
TPSA: 115.34 NumAromaticRings: 2

Sugarmoiety
SD03347

C=CCOC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1NC(C)=O