Glycoside
...
GD005735

Name:
None

Formula:
C74H71O11N4Cl7

Smiles:
NC[C@@H]1OC(O[C@@H]2[C@H](N)C[C@H](N)[C@H](O[C@@H]3O[C@H](COCc4ccc(Cl)cc4)[C@H](OCc4ccc(Cl)cc4)[C@H](N)[C@H]3OCc3ccc(Cl)cc3)[C@H]2OCc2ccc(Cl)cc2)[C@H](OCc2ccc(Cl)cc2)[C@H](OCc2ccc(Cl)cc2)[C@H]1OCc1ccc(Cl)cc1

Aglycone:
COCc1ccc(Cl)cc1.NC1CC(N)C(O)C(OCc2ccc(Cl)cc2)C1O.OCc1ccc(Cl)cc1.OCc1ccc(Cl)cc1.OCc1ccc(Cl)cc1.OCc1ccc(Cl)cc1.OCc1ccc(Cl)cc1

Sugarmoiety:
NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 10
HBD: 8 FractionCSP3: 0.37
AlogP: 12.85 Num_rotatable_bonds: 27
MolWt: 1356.49 Num_heavy_atoms: 89
TPSA: 205.61 NumAromaticRings: 7

Unique Aglycone
AD00252
Formula: C9H9OCl

Smiles:
COCc1ccc(Cl)cc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.25
AlogP: 2.49 Num_rotatable_bonds: 2
MolWt: 156.61 Num_heavy_atoms: 10
TPSA: 9.23 NumAromaticRings: 1
AD00253
Formula: C8H7OCl

Smiles:
OCc1ccc(Cl)cc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.83 Num_rotatable_bonds: 1
MolWt: 142.59 Num_heavy_atoms: 9
TPSA: 20.23 NumAromaticRings: 1
AD04830
Formula: C14H19O3N2Cl

Smiles:
NC1CC(N)C(O)C(OCc2ccc(Cl)cc2)C1O
HBA: 5 RingCount: 2
HBD: 6 FractionCSP3: 0.54
AlogP: 0.01 Num_rotatable_bonds: 3
MolWt: 286.76 Num_heavy_atoms: 19
TPSA: 101.73 NumAromaticRings: 1

Sugarmoiety
SD00503

NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(O)C(O)C1O