Glycoside
...
GD019554

Name:
None

Formula:
C50H68O19N8S2

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(=O)CCSCC(=O)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)[C@H](N)[C@H](O)[C@H]1O

Aglycone:
CSCCNC(=O)CCSCC(=O)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1.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: 27 RingCount: 8
HBD: 22 FractionCSP3: 0.56
AlogP: -3.99 Num_rotatable_bonds: 21
MolWt: 1149.26 Num_heavy_atoms: 79
TPSA: 478.82 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
AD13640
Formula: C28H26O7N2S2

Smiles:
CSCCNC(=O)CCSCC(=O)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1
HBA: 9 RingCount: 4
HBD: 4 FractionCSP3: 0.21
AlogP: 4.51 Num_rotatable_bonds: 11
MolWt: 566.66 Num_heavy_atoms: 39
TPSA: 145.94 NumAromaticRings: 2

Sugarmoiety
SD00021

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