Glycoside
...
GD012136

Name:
None

Formula:
C48H84O17N16S2

Smiles:
CC(=O)N(CCNC(=O)CSCCCCCCSC[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3N)[C@@H](N)C[C@@H](N)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CN)[C@H](O)[C@H](O)[C@H]1N)CC(=O)NCCN(CC(N)=O)C(=O)Cn1cnc2ncnc(N)c21

Aglycone:
CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn1cnc2ncnc(N)c21)C(C)=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: 33 RingCount: 6
HBD: 24 FractionCSP3: 0.79
AlogP: -9.04 Num_rotatable_bonds: 31
MolWt: 1221.43 Num_heavy_atoms: 83
TPSA: 544.41 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
AD09169
Formula: C26H42O5N10S2

Smiles:
CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn1cnc2ncnc(N)c21)C(C)=O
HBA: 15 RingCount: 2
HBD: 6 FractionCSP3: 0.62
AlogP: -0.54 Num_rotatable_bonds: 21
MolWt: 638.82 Num_heavy_atoms: 43
TPSA: 211.53 NumAromaticRings: 2

Sugarmoiety
SD00021

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