Glycoside
...
GD039091

Name:
2-aminoethyl 5-{[(4-cyclohexyl-1h-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-d-glycero-alpha-d-galacto-non-2-ulopyranonosyl-(2->6)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranoside

Formula:
C42H64O20N6

Smiles:
Cc1cc(C(=O)NC[C@@H](O)[C@@H](O)[C@H]2O[C@](OC[C@H]3O[C@H](O[C@@H]4[C@@H](CO)O[C@@H](OCCN)[C@@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@@H]3O)(C(=O)O)C[C@H](O)[C@@H]2NC(=O)Cn2cc(C3CCCCC3)nn2)cc(C)c1O

Aglycone:
COC1(C(=O)O)CC(O)C(NC(=O)Cn2cc(C3CCCCC3)nn2)C(C(O)C(O)CNC(=O)c2cc(C)c(O)c(C)c2)O1

Sugarmoiety:
NCCOC1OC(CO)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 6
HBD: 15 FractionCSP3: 0.74
AlogP: -5.16 Num_rotatable_bonds: 19
MolWt: 973.0 Num_heavy_atoms: 68
TPSA: 409.91 NumAromaticRings: 2

Unique Aglycone
AD24276
Formula: C29H41O10N5

Smiles:
COC1(C(=O)O)CC(O)C(NC(=O)Cn2cc(C3CCCCC3)nn2)C(C(O)C(O)CNC(=O)c2cc(C)c(O)c(C)c2)O1
HBA: 15 RingCount: 4
HBD: 7 FractionCSP3: 0.62
AlogP: -0.14 Num_rotatable_bonds: 11
MolWt: 619.67 Num_heavy_atoms: 44
TPSA: 225.59 NumAromaticRings: 2

Sugarmoiety
SD03450

NCCOC1OC(CO)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O