Glycoside
...
GD000868

Name:
None

Formula:
C79H74O20N13Cl7

Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](COC(=O)Nc3ccc(Cl)cc3)O[C@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CN)[C@H](OC(=O)Nc5ccc(Cl)cc5)[C@H](OC(=O)Nc5ccc(Cl)cc5)[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3OC(=O)Nc3ccc(Cl)cc3)[C@H]2OC(=O)Nc2ccc(Cl)cc2)[C@H](N)[C@H](OC(=O)Nc2ccc(Cl)cc2)[C@H]1OC(=O)Nc1ccc(Cl)cc1

Aglycone:
COC(=O)Nc1ccc(Cl)cc1.NC1CC(N)C(OC(=O)Nc2ccc(Cl)cc2)C(O)C1O.O=C(O)Nc1ccc(Cl)cc1.O=C(O)Nc1ccc(Cl)cc1.O=C(O)Nc1ccc(Cl)cc1.O=C(O)Nc1ccc(Cl)cc1.O=C(O)Nc1ccc(Cl)cc1

Sugarmoiety:
NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1O

Other Identifiers

Properties
HBA: 33 RingCount: 11
HBD: 19 FractionCSP3: 0.32
AlogP: 11.47 Num_rotatable_bonds: 23
MolWt: 1689.63 Num_heavy_atoms: 112
TPSA: 479.81 NumAromaticRings: 7

Unique Aglycone
AD00905
Formula: C9H8O2NCl

Smiles:
COC(=O)Nc1ccc(Cl)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.12
AlogP: 2.52 Num_rotatable_bonds: 1
MolWt: 185.61 Num_heavy_atoms: 12
TPSA: 38.33 NumAromaticRings: 1
AD00906
Formula: C14H18O4N3Cl

Smiles:
NC1CC(N)C(OC(=O)Nc2ccc(Cl)cc2)C(O)C1O
HBA: 7 RingCount: 2
HBD: 7 FractionCSP3: 0.46
AlogP: 0.04 Num_rotatable_bonds: 2
MolWt: 315.76 Num_heavy_atoms: 21
TPSA: 130.83 NumAromaticRings: 1
AD00907
Formula: C8H6O2NCl

Smiles:
O=C(O)Nc1ccc(Cl)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 2.43 Num_rotatable_bonds: 1
MolWt: 171.58 Num_heavy_atoms: 11
TPSA: 49.33 NumAromaticRings: 1

Sugarmoiety
SD00021

NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1O