Glycoside
...
GD013178

Name:
None

Formula:
C44H81O12N4ClS

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@H](C)CN(CCCNC(=S)NCCCl)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=S)NCCCl)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 3
HBD: 7 FractionCSP3: 0.95
AlogP: 2.36 Num_rotatable_bonds: 13
MolWt: 913.66 Num_heavy_atoms: 61
TPSA: 204.14 NumAromaticRings: 0

Unique Aglycone
AD09871
Formula: C36H67O9N4ClS

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=S)NCCCl)C(C)C(O)C1(C)O
HBA: 13 RingCount: 2
HBD: 7 FractionCSP3: 0.94
AlogP: 1.44 Num_rotatable_bonds: 10
MolWt: 755.46 Num_heavy_atoms: 50
TPSA: 176.45 NumAromaticRings: 0

Sugarmoiety
SD00005

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