Glycoside
...
GD012248

Name:
None

Formula:
C48H46O14N3ClS

Smiles:
O=C(NCCOCCOCCCNC(=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(NCCOCCOCCCNC(=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: 17 RingCount: 8
HBD: 9 FractionCSP3: 0.3
AlogP: 4.3 Num_rotatable_bonds: 16
MolWt: 944.41 Num_heavy_atoms: 66
TPSA: 246.99 NumAromaticRings: 5

Unique Aglycone
AD09250
Formula: C42H36O9N3ClS

Smiles:
O=C(NCCOCCOCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)c1ccc(-c2ccc(O)c(Cl)c2)cc1
HBA: 12 RingCount: 7
HBD: 6 FractionCSP3: 0.2
AlogP: 6.83 Num_rotatable_bonds: 13
MolWt: 782.27 Num_heavy_atoms: 55
TPSA: 167.84 NumAromaticRings: 5

Sugarmoiety
SD00003

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