Glycoside
...
GD009692

Name:
None

Formula:
C52H83O13N5Cl2

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)Nc2ccc(Cl)cc2Cl)[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)Nc2ccc(Cl)cc2Cl)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 6 FractionCSP3: 0.82
AlogP: 5.42 Num_rotatable_bonds: 14
MolWt: 1033.14 Num_heavy_atoms: 70
TPSA: 236.21 NumAromaticRings: 1

Unique Aglycone
AD07577
Formula: C44H69O10N5Cl2

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)Nc2ccc(Cl)cc2Cl)C(C)C(O)C1(C)O
HBA: 15 RingCount: 3
HBD: 6 FractionCSP3: 0.79
AlogP: 4.49 Num_rotatable_bonds: 11
MolWt: 874.94 Num_heavy_atoms: 59
TPSA: 208.52 NumAromaticRings: 1

Sugarmoiety
SD00005

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