Glycoside
...
GD034126

Name:
None

Formula:
C40H58O14N8S2

Smiles:
NCC1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CN)[C@H](O)[C@H](O)[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3O)O[C@H]2CSCCNC(=S)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)[C@H](N)[C@H](O)[C@H]1O

Aglycone:
CSCCNC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O.NC1CC(N)C(O)C(O)C1O

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

Other Identifiers

Properties
HBA: 22 RingCount: 7
HBD: 20 FractionCSP3: 0.62
AlogP: -5.39 Num_rotatable_bonds: 14
MolWt: 939.08 Num_heavy_atoms: 64
TPSA: 391.08 NumAromaticRings: 2

Unique Aglycone
AD00009
Formula: C6H14O3N2

Smiles:
NC1CC(N)C(O)C(O)C1O
HBA: 5 RingCount: 1
HBD: 7 FractionCSP3: 1.0
AlogP: -2.87 Num_rotatable_bonds: 0
MolWt: 162.19 Num_heavy_atoms: 11
TPSA: 112.73 NumAromaticRings: 0
AD20398
Formula: C18H16O2N2S2

Smiles:
CSCCNC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.17
AlogP: 3.11 Num_rotatable_bonds: 4
MolWt: 356.47 Num_heavy_atoms: 24
TPSA: 58.2 NumAromaticRings: 2

Sugarmoiety
SD00021

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