Glycoside
...
GD020892

Name:
None

Formula:
C39H60O14N4Cl2

Smiles:
CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](OC(=O)NCCCl)[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@H](C)C(=NOC(=O)NCCCl)[C@H](C)[C@@H]2OC(=O)O[C@]12C

Aglycone:
CCC1OC(=O)C(C)C(=O)C(C)C(O)C(C)(OC)CC(C)C(=NOC(=O)NCCCl)C(C)C2OC(=O)OC12C.O=C(O)NCCCl

Sugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 3
HBD: 3 FractionCSP3: 0.84
AlogP: 3.6 Num_rotatable_bonds: 11
MolWt: 855.81 Num_heavy_atoms: 57
TPSA: 219.08 NumAromaticRings: 0

Unique Aglycone
AD14349
Formula: C27H41O10N2Cl

Smiles:
CCC1OC(=O)C(C)C(=O)C(C)C(O)C(C)(OC)CC(C)C(=NOC(=O)NCCCl)C(C)C2OC(=O)OC12C
HBA: 12 RingCount: 2
HBD: 2 FractionCSP3: 0.81
AlogP: 3.21 Num_rotatable_bonds: 5
MolWt: 577.07 Num_heavy_atoms: 39
TPSA: 159.05 NumAromaticRings: 0
AD14350
Formula: C4H6O2NCl

Smiles:
O=C(O)NCCCl
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.67
AlogP: 0.49 Num_rotatable_bonds: 2
MolWt: 123.54 Num_heavy_atoms: 7
TPSA: 49.33 NumAromaticRings: 0

Sugarmoiety
SD00048

CC1OC(O)C(O)C(N(C)C)C1O