Glycoside
...
GD017648

Name:
None

Formula:
C55H73O17N10S2I

Smiles:
C[C@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC[C@@H]2O[C@H](O)[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)C(=O)O

Aglycone:
CNC(Cc1ccccc1)C(=O)NC1CSSCC(C(=O)NC(C(=O)O)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:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 6
HBD: 19 FractionCSP3: 0.49
AlogP: -2.97 Num_rotatable_bonds: 20
MolWt: 1333.28 Num_heavy_atoms: 85
TPSA: 445.68 NumAromaticRings: 4

Unique Aglycone
AD03912
Formula: C50H65O12N10S2I

Smiles:
CNC(Cc1ccccc1)C(=O)NC1CSSCC(C(=O)NC(C(=O)O)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: 22 RingCount: 5
HBD: 15 FractionCSP3: 0.44
AlogP: -0.14 Num_rotatable_bonds: 18
MolWt: 1189.17 Num_heavy_atoms: 75
TPSA: 355.53 NumAromaticRings: 4

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O