Glycoside
...
GD032961

Name:
None

Formula:
C36H57O17N7S

Smiles:
CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@H](O)[C@H]1O[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)N[C@H](CCC[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)O)C(=O)O)C(=O)O

Aglycone:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(NC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)O)C(=O)O)C(=O)O

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

Other Identifiers

Properties
HBA: 24 RingCount: 3
HBD: 13 FractionCSP3: 0.75
AlogP: -3.78 Num_rotatable_bonds: 25
MolWt: 891.95 Num_heavy_atoms: 61
TPSA: 377.68 NumAromaticRings: 0

Unique Aglycone
AD17377
Formula: C28H44O12N6S

Smiles:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(NC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)O)C(=O)O)C(=O)O
HBA: 18 RingCount: 2
HBD: 10 FractionCSP3: 0.71
AlogP: -1.74 Num_rotatable_bonds: 21
MolWt: 688.76 Num_heavy_atoms: 47
TPSA: 289.66 NumAromaticRings: 0

Sugarmoiety
SD00014

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