Glycoside
...
GD034045

Name:
None

Formula:
C44H82O12N4S

Smiles:
C=CCNC(=S)NCCCN1C[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C

Aglycone:
C=CCNC(=S)NCCCN1CC(C)CC(C)(O)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C1C

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

Other Identifiers

Properties
HBA: 16 RingCount: 3
HBD: 7 FractionCSP3: 0.91
AlogP: 2.31 Num_rotatable_bonds: 13
MolWt: 891.22 Num_heavy_atoms: 61
TPSA: 204.14 NumAromaticRings: 0

Unique Aglycone
AD21687
Formula: C36H68O9N4S

Smiles:
C=CCNC(=S)NCCCN1CC(C)CC(C)(O)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C1C
HBA: 13 RingCount: 2
HBD: 7 FractionCSP3: 0.89
AlogP: 1.39 Num_rotatable_bonds: 10
MolWt: 733.03 Num_heavy_atoms: 50
TPSA: 176.45 NumAromaticRings: 0

Sugarmoiety
SD00005

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