Glycoside
...
GD000272

Name:
None

Formula:
C52H87O18N19S2

Smiles:
NC[C@@H]1O[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]2CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2cnc3c(N)ncnc32)[C@H](N)[C@H](O)[C@H]1O

Aglycone:
CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn1ccc(N)nc1=O)C(=O)Cn1cnc2c(N)ncnc21.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: 37 RingCount: 7
HBD: 26 FractionCSP3: 0.73
AlogP: -10.22 Num_rotatable_bonds: 33
MolWt: 1330.52 Num_heavy_atoms: 91
TPSA: 605.32 NumAromaticRings: 3

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
AD00317
Formula: C30H45O6N13S2

Smiles:
CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn1ccc(N)nc1=O)C(=O)Cn1cnc2c(N)ncnc21
HBA: 19 RingCount: 3
HBD: 8 FractionCSP3: 0.53
AlogP: -1.72 Num_rotatable_bonds: 23
MolWt: 747.91 Num_heavy_atoms: 51
TPSA: 272.44 NumAromaticRings: 3

Sugarmoiety
SD00021

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