Glycoside
...
GD020197

Name:
None

Formula:
C43H51O18N2Cl

Smiles:
O=C(O)N[C@@H]1[C@H](O)C[C@](O[C@H]2[C@H](O)[C@@H](O[C@@H]3CCO[C@H](COCc4ccc(-c5ccccc5)cc4)[C@H]3O)O[C@@H](CO)[C@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccc(Cl)cc1

Aglycone:
O=C(O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CNC(=O)c1ccc(Cl)cc1.OC1CCOC(COCc2ccc(-c3ccccc3)cc2)C1O

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

Other Identifiers

Properties
HBA: 20 RingCount: 6
HBD: 11 FractionCSP3: 0.5
AlogP: -0.4 Num_rotatable_bonds: 17
MolWt: 907.32 Num_heavy_atoms: 63
TPSA: 312.72 NumAromaticRings: 3

Unique Aglycone
AD05679
Formula: C19H22O4

Smiles:
OC1CCOC(COCc2ccc(-c3ccccc3)cc2)C1O
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.37
AlogP: 2.38 Num_rotatable_bonds: 5
MolWt: 314.38 Num_heavy_atoms: 23
TPSA: 58.92 NumAromaticRings: 2
AD13983
Formula: C18H21O10N2Cl

Smiles:
O=C(O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CNC(=O)c1ccc(Cl)cc1
HBA: 12 RingCount: 2
HBD: 8 FractionCSP3: 0.47
AlogP: -1.65 Num_rotatable_bonds: 7
MolWt: 448.81 Num_heavy_atoms: 30
TPSA: 205.88 NumAromaticRings: 1

Sugarmoiety
SD00003

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