Glycoside
...
GD017960

Name:
None

Formula:
C50H79O13N2Cl

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](OC2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@H](C)C(=O)[C@H](C)[C@@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCc3ccc(Cl)cc3)C(=O)OC12C

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

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 2 FractionCSP3: 0.82
AlogP: 6.58 Num_rotatable_bonds: 12
MolWt: 939.62 Num_heavy_atoms: 65
TPSA: 171.99 NumAromaticRings: 1

Unique Aglycone
AD12754
Formula: C42H65O10N2Cl

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCc3ccc(Cl)cc3)C(=O)OC12C
HBA: 12 RingCount: 4
HBD: 2 FractionCSP3: 0.78
AlogP: 5.66 Num_rotatable_bonds: 9
MolWt: 781.43 Num_heavy_atoms: 54
TPSA: 144.3 NumAromaticRings: 1

Sugarmoiety
SD00005

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