Glycoside
...
GD012918

Name:
None

Formula:
C56H91O13N5

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(=O)NC(C)c2cccc3ccccc23)[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(=O)NC(C)c2cccc3ccccc23)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 6 FractionCSP3: 0.77
AlogP: 5.5 Num_rotatable_bonds: 15
MolWt: 1042.37 Num_heavy_atoms: 74
TPSA: 236.21 NumAromaticRings: 2

Unique Aglycone
AD09699
Formula: C48H77O10N5

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(=O)NC(C)c2cccc3ccccc23)C(C)C(O)C1(C)O
HBA: 15 RingCount: 4
HBD: 6 FractionCSP3: 0.73
AlogP: 4.58 Num_rotatable_bonds: 12
MolWt: 884.17 Num_heavy_atoms: 63
TPSA: 208.52 NumAromaticRings: 2

Sugarmoiety
SD00005

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