Glycoside
...
GD004523

Name:
None

Formula:
C37H65O15N7S4

Smiles:
NC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@H](CSCCOCCSSCCOCCSCC(=O)N[C@H](CO)[C@H](O)c4ccc([N+](=O)[O-])cc4)[C@H](O)[C@H](N)[C@H]3O)[C@@H](N)C[C@H]2N)[C@H](N)C[C@H]1O

Aglycone:
CSCCOCCSSCCOCCSCC(=O)NC(CO)C(O)c1ccc([N+](=O)[O-])cc1.NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1O

Sugarmoiety:
NC1C(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 4
HBD: 17 FractionCSP3: 0.81
AlogP: -3.29 Num_rotatable_bonds: 27
MolWt: 976.23 Num_heavy_atoms: 63
TPSA: 379.1 NumAromaticRings: 1

Unique Aglycone
AD02993
Formula: C12H26O5N4

Smiles:
NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1O
HBA: 9 RingCount: 2
HBD: 11 FractionCSP3: 1.0
AlogP: -4.09 Num_rotatable_bonds: 3
MolWt: 306.36 Num_heavy_atoms: 21
TPSA: 183.23 NumAromaticRings: 0
AD03939
Formula: C20H32O7N2S4

Smiles:
CSCCOCCSSCCOCCSCC(=O)NC(CO)C(O)c1ccc([N+](=O)[O-])cc1
HBA: 9 RingCount: 1
HBD: 3 FractionCSP3: 0.65
AlogP: 2.62 Num_rotatable_bonds: 20
MolWt: 540.75 Num_heavy_atoms: 33
TPSA: 131.16 NumAromaticRings: 1

Sugarmoiety
SD00219

NC1C(O)C(O)OC(O)C1O