Glycoside
...
GD007155

Name:
None

Formula:
C47H79O17N9S

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](CCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)O)C(=O)O

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

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

Other Identifiers

Properties
HBA: 26 RingCount: 3
HBD: 14 FractionCSP3: 0.79
AlogP: -1.88 Num_rotatable_bonds: 36
MolWt: 1074.26 Num_heavy_atoms: 74
TPSA: 398.58 NumAromaticRings: 0

Unique Aglycone
AD05848
Formula: C39H66O12N8S

Smiles:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)O)C(=O)O
HBA: 20 RingCount: 2
HBD: 11 FractionCSP3: 0.77
AlogP: 0.16 Num_rotatable_bonds: 32
MolWt: 871.07 Num_heavy_atoms: 60
TPSA: 310.56 NumAromaticRings: 0

Sugarmoiety
SD00014

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