Glycoside
...
GD011079

Name:
None

Formula:
C48H85O19N13S2

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)Cn1cc(C)c(=O)[nH]c1=O

Aglycone:
CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn1cc(C)c(=O)[nH]c1=O)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: 32 RingCount: 5
HBD: 23 FractionCSP3: 0.81
AlogP: -9.61 Num_rotatable_bonds: 31
MolWt: 1212.41 Num_heavy_atoms: 82
TPSA: 529.65 NumAromaticRings: 1

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
AD08493
Formula: C26H43O7N7S2

Smiles:
CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn1cc(C)c(=O)[nH]c1=O)C(C)=O
HBA: 14 RingCount: 1
HBD: 5 FractionCSP3: 0.65
AlogP: -1.1 Num_rotatable_bonds: 21
MolWt: 629.81 Num_heavy_atoms: 42
TPSA: 196.77 NumAromaticRings: 1

Sugarmoiety
SD00021

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