Glycoside
...
GD027787

Name:
None

Formula:
C50H86O14N4S

Smiles:
CCOC(=O)c1ccc(NC(=S)NCCCN2C[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@H](C)[C@H](O[C@@H]3C[C@@](C)(OC)[C@H](O)[C@H](C)O3)[C@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]2C)cc1

Aglycone:
CCOC(=O)c1ccc(NC(=S)NCCCN2CC(C)CC(C)(O)C(OC3OC(C)CC(N(C)C)C3O)C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C2C)cc1

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 7 FractionCSP3: 0.82
AlogP: 3.82 Num_rotatable_bonds: 14
MolWt: 999.32 Num_heavy_atoms: 69
TPSA: 230.44 NumAromaticRings: 1

Unique Aglycone
AD18226
Formula: C42H72O11N4S

Smiles:
CCOC(=O)c1ccc(NC(=S)NCCCN2CC(C)CC(C)(O)C(OC3OC(C)CC(N(C)C)C3O)C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C2C)cc1
HBA: 15 RingCount: 3
HBD: 7 FractionCSP3: 0.79
AlogP: 2.9 Num_rotatable_bonds: 11
MolWt: 841.12 Num_heavy_atoms: 58
TPSA: 202.75 NumAromaticRings: 1

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O