Glycoside
...
GD028896

Name:
None

Formula:
C38H63O16N7S3

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)CCCCC3SCC4NC(=O)NC43)[C@H]2O)O[C@H](CO)[C@H](O)[C@H]1O

Aglycone:
CN(C)C1=NC2C(O)C(O)C(CO)C2O1.NC(=O)CCSSCCNC(=O)CCCCC1SCC2NC(=O)NC21

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

Other Identifiers

Properties
HBA: 23 RingCount: 6
HBD: 12 FractionCSP3: 0.87
AlogP: -4.46 Num_rotatable_bonds: 21
MolWt: 970.16 Num_heavy_atoms: 64
TPSA: 331.79 NumAromaticRings: 0

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
AD12520
Formula: C15H26O3N4S3

Smiles:
NC(=O)CCSSCCNC(=O)CCCCC1SCC2NC(=O)NC21
HBA: 7 RingCount: 2
HBD: 5 FractionCSP3: 0.8
AlogP: 1.09 Num_rotatable_bonds: 12
MolWt: 406.6 Num_heavy_atoms: 25
TPSA: 113.32 NumAromaticRings: 0

Sugarmoiety
SD02864

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