Glycoside
...
GD024619

Name:
None

Formula:
C43H36O12N3ClS

Smiles:
O=C(NCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)c1ccc(-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(Cl)c2)cc1

Aglycone:
O=C(NCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)c1ccc(-c2ccc(O)c(Cl)c2)cc1

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

Other Identifiers

Properties
HBA: 15 RingCount: 8
HBD: 9 FractionCSP3: 0.21
AlogP: 3.88 Num_rotatable_bonds: 9
MolWt: 842.28 Num_heavy_atoms: 59
TPSA: 228.53 NumAromaticRings: 5

Unique Aglycone
AD16407
Formula: C37H26O7N3ClS

Smiles:
O=C(NCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)c1ccc(-c2ccc(O)c(Cl)c2)cc1
HBA: 10 RingCount: 7
HBD: 6 FractionCSP3: 0.08
AlogP: 6.41 Num_rotatable_bonds: 6
MolWt: 680.14 Num_heavy_atoms: 48
TPSA: 149.38 NumAromaticRings: 5

Sugarmoiety
SD00003

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