Glycoside
...
GD039250

Name:
sialylated precision glycomacromolecule

Formula:
C92H139O39N19

Smiles:
CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(N)=O)C(=O)c1ccc(Cn2cc(CO[C@@]3(C(=O)O)C[C@@H](O)[C@@H](OC(C)=O)[C@@H]([C@@H](O)[C@@H](O)CO)O3)nn2)cc1)C(=O)c1ccc(Cn2cc(COC3(C(=O)O)CC(O)C(OC(C)=O)C(C(O)C(O)CO)O3)nn2)cc1

Aglycone:
CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(N)=O)C(=O)c1ccc(Cn2cc(CO)nn2)cc1)C(=O)c1ccc(Cn2cc(CO)nn2)cc1.OCC(O)CO.OCC(O)CO

Sugarmoiety:
CC(=O)O.CC(=O)OC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.O=C(O)C(O)(O)CO

Other Identifiers

Properties
HBA: 58 RingCount: 6
HBD: 22 FractionCSP3: 0.64
AlogP: -9.6 Num_rotatable_bonds: 76
MolWt: 2135.22 Num_heavy_atoms: 150
TPSA: 817.47 NumAromaticRings: 4

Unique Aglycone
AD00405
Formula: C3H8O3

Smiles:
OCC(O)CO
HBA: 3 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: -1.67 Num_rotatable_bonds: 2
MolWt: 92.09 Num_heavy_atoms: 6
TPSA: 60.69 NumAromaticRings: 0
AD24319
Formula: C70H107O21N19

Smiles:
CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(N)=O)C(=O)c1ccc(Cn2cc(CO)nn2)cc1)C(=O)c1ccc(Cn2cc(CO)nn2)cc1
HBA: 40 RingCount: 4
HBD: 14 FractionCSP3: 0.59
AlogP: -4.8 Num_rotatable_bonds: 62
MolWt: 1550.74 Num_heavy_atoms: 110
TPSA: 531.97 NumAromaticRings: 4

Sugarmoiety
SD03464

CC(=O)O.CC(=O)OC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.O=C(O)C(O)(O)CO