Glycoside
...
GD006966

Name:
None

Formula:
C54H87O12N5S

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(CCCN(CCC#N)C(=S)Nc2cccc3ccccc23)[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(CCCN(CCC#N)C(=S)Nc2cccc3ccccc23)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 6 FractionCSP3: 0.76
AlogP: 5.43 Num_rotatable_bonds: 14
MolWt: 1030.38 Num_heavy_atoms: 72
TPSA: 219.14 NumAromaticRings: 2

Unique Aglycone
AD05704
Formula: C46H73O9N5S

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCN(CCC#N)C(=S)Nc2cccc3ccccc23)C(C)C(O)C1(C)O
HBA: 14 RingCount: 4
HBD: 6 FractionCSP3: 0.72
AlogP: 4.5 Num_rotatable_bonds: 11
MolWt: 872.18 Num_heavy_atoms: 61
TPSA: 191.45 NumAromaticRings: 2

Sugarmoiety
SD00005

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