Glycoside
...
GD016515

Name:
None

Formula:
C28H35O10N3Cl2

Smiles:
CCCc1c(C(=O)N[C@H]2[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]2C[C@](O)(CO)C[C@H](O)[C@H]2O)cnn1-c1cc(Cl)cc(Cl)c1

Aglycone:
CCCc1c(C(N)=O)cnn1-c1cc(Cl)cc(Cl)c1.OCC1(O)CC(O)C(O)C(O)C1

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 8 FractionCSP3: 0.62
AlogP: -0.71 Num_rotatable_bonds: 9
MolWt: 620.48 Num_heavy_atoms: 41
TPSA: 206.99 NumAromaticRings: 2

Unique Aglycone
AD03790
Formula: C7H14O5

Smiles:
OCC1(O)CC(O)C(O)C(O)C1
HBA: 5 RingCount: 1
HBD: 5 FractionCSP3: 1.0
AlogP: -2.41 Num_rotatable_bonds: 1
MolWt: 178.18 Num_heavy_atoms: 12
TPSA: 101.15 NumAromaticRings: 0
AD11878
Formula: C15H13ON3Cl2

Smiles:
CCCc1c(C(N)=O)cnn1-c1cc(Cl)cc(Cl)c1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.23
AlogP: 3.23 Num_rotatable_bonds: 4
MolWt: 298.17 Num_heavy_atoms: 19
TPSA: 60.91 NumAromaticRings: 2

Sugarmoiety
SD00003

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