Glycoside
...
GD006951

Name:
None

Formula:
C54H87O13N5

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)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(=O)Nc2cccc3ccccc23)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: 0.76
AlogP: 5.26 Num_rotatable_bonds: 14
MolWt: 1014.31 Num_heavy_atoms: 72
TPSA: 236.21 NumAromaticRings: 2

Unique Aglycone
AD05695
Formula: C46H73O10N5

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)Nc2cccc3ccccc23)C(C)C(O)C1(C)O
HBA: 15 RingCount: 4
HBD: 6 FractionCSP3: 0.72
AlogP: 4.34 Num_rotatable_bonds: 11
MolWt: 856.12 Num_heavy_atoms: 61
TPSA: 208.52 NumAromaticRings: 2

Sugarmoiety
SD00005

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