Glycoside
...
GD038818

Name:
methyl 2-acetamido-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-d-glucopyranosyl-(1->3)-2-acetamido-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranoside

Formula:
C31H47O20N3

Smiles:
CO[C@H]1O[C@H]2CO[C@@](C)(C(=O)O)O[C@H]2[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H]4CO[C@](C)(C(=O)O)O[C@@H]4[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@@H]2NC(C)=O)[C@H]1NC(C)=O

Aglycone:
CC(=O)NC1C(O)OC2COC(C)(C(=O)O)OC2C1O.COC1OC2COC(C)(C(=O)O)OC2C(O)C1NC(C)=O

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 5
HBD: 8 FractionCSP3: 0.84
AlogP: -4.76 Num_rotatable_bonds: 11
MolWt: 781.72 Num_heavy_atoms: 54
TPSA: 314.89 NumAromaticRings: 0

Unique Aglycone
AD24146
Formula: C11H17O8N

Smiles:
CC(=O)NC1C(O)OC2COC(C)(C(=O)O)OC2C1O
HBA: 9 RingCount: 2
HBD: 4 FractionCSP3: 0.82
AlogP: -2.21 Num_rotatable_bonds: 2
MolWt: 291.26 Num_heavy_atoms: 20
TPSA: 134.55 NumAromaticRings: 0
AD24149
Formula: C12H19O8N

Smiles:
COC1OC2COC(C)(C(=O)O)OC2C(O)C1NC(C)=O
HBA: 9 RingCount: 2
HBD: 3 FractionCSP3: 0.83
AlogP: -1.56 Num_rotatable_bonds: 3
MolWt: 305.28 Num_heavy_atoms: 21
TPSA: 123.55 NumAromaticRings: 0

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O