Glycoside
...
GD031258

Name:
None

Formula:
C51H80O18N12S3

Smiles:
CC(=O)N[C@@H]1[C@H](O[C@H]2[C@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H]4N=C(N(C)C)O[C@H]4[C@H]3CO)[C@@H](NC(=O)CCSSCCNC(=O)C(CCCCNC(=O)CCCCC3SCC4NC(=O)NC43)NC(=O)c3ccc(N=[NH+][NH-])cc3)[C@H]2O)O[C@H](CO)[C@H](O)[C@H]1O

Aglycone:
CN(C)C1=NC2C(O)C(O)C(CO)C2O1.[NH-][NH+]=Nc1ccc(C(=O)NC(CCCCNC(=O)CCCCC2SCC3NC(=O)NC32)C(=O)NCCSSCCC(N)=O)cc1

Sugarmoiety:
CC(=O)NC1C(OC2C(CO)OC(O)C(O)C2O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 30 RingCount: 7
HBD: 16 FractionCSP3: 0.75
AlogP: -4.24 Num_rotatable_bonds: 30
MolWt: 1245.47 Num_heavy_atoms: 84
TPSA: 440.12 NumAromaticRings: 1

Unique Aglycone
AD01895
Formula: C9H16O4N2

Smiles:
CN(C)C1=NC2C(O)C(O)C(CO)C2O1
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.89
AlogP: -1.98 Num_rotatable_bonds: 1
MolWt: 216.24 Num_heavy_atoms: 15
TPSA: 85.52 NumAromaticRings: 0
AD14464
Formula: C28H43O5N9S3

Smiles:
[NH-][NH+]=Nc1ccc(C(=O)NC(CCCCNC(=O)CCCCC2SCC3NC(=O)NC32)C(=O)NCCSSCCC(N)=O)cc1
HBA: 14 RingCount: 3
HBD: 9 FractionCSP3: 0.61
AlogP: 1.3 Num_rotatable_bonds: 21
MolWt: 681.91 Num_heavy_atoms: 45
TPSA: 221.65 NumAromaticRings: 1

Sugarmoiety
SD02864

CC(=O)NC1C(OC2C(CO)OC(O)C(O)C2O)OC(CO)C(O)C1O