Glycoside
...
GD015744

Name:
None

Formula:
C58H80O19N4S

Smiles:
COc1ccc(C(=O)O[C@@H]2[C@H](O[C@H]3[C@H](OC(C)=O)[C@@H](O[C@@H]4C[C@@H]5[C@@H]6CC=C7C[C@H](O)CC[C@@]7(C)[C@H]6CC[C@@]5(C)[C@@]4(O)[C@H](C)C(=O)CCC(C)C)OC[C@H]3O)OC[C@H](O)[C@H]2OC(=O)CN(C)c2ccc(S(=O)(=O)N(C)C)c3nonc23)cc1

Aglycone:
CC(C)CCC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C.CN(CC(=O)O)c1ccc(S(=O)(=O)N(C)C)c2nonc12.COc1ccc(C(=O)O)cc1

Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 9
HBD: 4 FractionCSP3: 0.69
AlogP: 4.5 Num_rotatable_bonds: 19
MolWt: 1169.35 Num_heavy_atoms: 82
TPSA: 302.58 NumAromaticRings: 3

Unique Aglycone
AD01328
Formula: C27H44O4

Smiles:
CC(C)CCC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C
HBA: 4 RingCount: 4
HBD: 3 FractionCSP3: 0.89
AlogP: 4.65 Num_rotatable_bonds: 5
MolWt: 432.65 Num_heavy_atoms: 31
TPSA: 77.76 NumAromaticRings: 0
AD01329
Formula: C8H8O3

Smiles:
COc1ccc(C(=O)O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.12
AlogP: 1.39 Num_rotatable_bonds: 2
MolWt: 152.15 Num_heavy_atoms: 11
TPSA: 46.53 NumAromaticRings: 1
AD11404
Formula: C11H14O5N4S

Smiles:
CN(CC(=O)O)c1ccc(S(=O)(=O)N(C)C)c2nonc12
HBA: 9 RingCount: 2
HBD: 1 FractionCSP3: 0.36
AlogP: -0.01 Num_rotatable_bonds: 5
MolWt: 314.32 Num_heavy_atoms: 21
TPSA: 116.84 NumAromaticRings: 2

Sugarmoiety
SD00355

CC(=O)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1O