Glycoside
...
GD032580

Name:
None

Formula:
C55H75O16N10S2I

Smiles:
C[C@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC[C@]2(O)OC[C@H](O)[C@H](O)[C@H]2O)C(=O)N[C@H](Cc2ccc(O)c([123I])c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@H]([C@H](C)O)C(=O)N1

Aglycone:
CNC(Cc1ccccc1)C(=O)NC1CSSCC(C(=O)NC(CO)C(C)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)c(I)c2)NC1=O

Sugarmoiety:
OC1COC(O)(O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 6
HBD: 19 FractionCSP3: 0.51
AlogP: -3.06 Num_rotatable_bonds: 20
MolWt: 1319.3 Num_heavy_atoms: 84
TPSA: 428.61 NumAromaticRings: 4

Unique Aglycone
AD05279
Formula: C50H67O11N10S2I

Smiles:
CNC(Cc1ccccc1)C(=O)NC1CSSCC(C(=O)NC(CO)C(C)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)c(I)c2)NC1=O
HBA: 21 RingCount: 5
HBD: 15 FractionCSP3: 0.46
AlogP: -0.23 Num_rotatable_bonds: 18
MolWt: 1175.18 Num_heavy_atoms: 74
TPSA: 338.46 NumAromaticRings: 4

Sugarmoiety
SD00085

OC1COC(O)(O)C(O)C1O