Glycoside
...
GD038231

Name:
(2~{r},4~{s},5~{r},6~{r})-5-acetamido-2-[4-[(2~{r})-3-[2-[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Formula:
C32H46O15N6

Smiles:
CC(=O)N[C@@H]1[C@@H](O)C[C@@](C(=O)O)(n2cc(C[C@@H](NC(=O)Cc3ccccc3)C(=O)NCC[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)nn2)O[C@H]1[C@@H](O)[C@@H](O)CO

Aglycone:
CCNC(=O)C(Cc1cn(C2(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O2)nn1)NC(=O)Cc1ccccc1

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

Other Identifiers

Properties
HBA: 21 RingCount: 4
HBD: 12 FractionCSP3: 0.62
AlogP: -6.0 Num_rotatable_bonds: 16
MolWt: 754.75 Num_heavy_atoms: 53
TPSA: 335.61 NumAromaticRings: 2

Unique Aglycone
AD23922
Formula: C26H36O10N6

Smiles:
CCNC(=O)C(Cc1cn(C2(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O2)nn1)NC(=O)Cc1ccccc1
HBA: 16 RingCount: 3
HBD: 8 FractionCSP3: 0.54
AlogP: -3.21 Num_rotatable_bonds: 13
MolWt: 592.61 Num_heavy_atoms: 42
TPSA: 245.46 NumAromaticRings: 2

Sugarmoiety
SD00003

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