Glycoside
...
GD030330

Name:
None

Formula:
C33H57O14N7S2

Smiles:
NC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@H](CSCCOCCSCC(=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:
CSCCOCCSCC(=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: 21 RingCount: 4
HBD: 17 FractionCSP3: 0.79
AlogP: -4.69 Num_rotatable_bonds: 20
MolWt: 839.99 Num_heavy_atoms: 56
TPSA: 369.87 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
AD19625
Formula: C16H24O6N2S2

Smiles:
CSCCOCCSCC(=O)NC(CO)C(O)c1ccc([N+](=O)[O-])cc1
HBA: 8 RingCount: 1
HBD: 3 FractionCSP3: 0.56
AlogP: 1.22 Num_rotatable_bonds: 13
MolWt: 404.51 Num_heavy_atoms: 26
TPSA: 121.93 NumAromaticRings: 1

Sugarmoiety
SD00219

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