Glycoside
...
GD038057

Name:
[(2~{s},3~{s},4~{s},5~{r},6~{s})-2-[(2~{r},3~{r},4~{r},5~{s})-2-[(1~{r},2~{s},3~{r},4~{r},5~{s},6~{r})-2,4-bis[[azaniumylidene(azanyl)methyl]amino]-3,5,6-tris(oxidanyl)cyclohexyl]oxy-4-[bis(oxidanyl)methyl]-5-methyl-4-oxidanyl-oxolan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-methyl-azanium

Formula:
C21H44O13N7

Smiles:
C[NH2+][C@@H]1[C@@H](O[C@H]2[C@@H](O[C@@H]3[C@@H](NC(N)=[NH2+])[C@@H](O)[C@@H](NC(N)=[NH2+])[C@@H](O)[C@H]3O)O[C@H](C)[C@@]2(O)C(O)O)O[C@H](CO)[C@H](O)[C@@H]1O

Aglycone:
NC(=[NH2+])NC1C(O)C(O)C(O)C(NC(N)=[NH2+])C1O

Sugarmoiety:
C[NH2+]C1C(OC2C(O)OC(C)C2(O)C(O)O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 3
HBD: 21 FractionCSP3: 0.9
AlogP: -13.3 Num_rotatable_bonds: 9
MolWt: 602.62 Num_heavy_atoms: 41
TPSA: 362.88 NumAromaticRings: 0

Unique Aglycone
AD23845
Formula: C8H20O4N6

Smiles:
NC(=[NH2+])NC1C(O)C(O)C(O)C(NC(N)=[NH2+])C1O
HBA: 10 RingCount: 1
HBD: 14 FractionCSP3: 0.75
AlogP: -8.49 Num_rotatable_bonds: 2
MolWt: 264.29 Num_heavy_atoms: 18
TPSA: 208.2 NumAromaticRings: 0

Sugarmoiety
SD03366

C[NH2+]C1C(OC2C(O)OC(C)C2(O)C(O)O)OC(CO)C(O)C1O