Glycoside
...
GD025205

Name:
None

Formula:
C47H70O14N3Cl

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)NCc3cccc(Cl)c3)[C@H](C)O2)[C@H](C)[C@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@]2(C)C[C@H](C)C(=N[C@H](C)[C@@H]3OC(=O)O[C@]13C)O2

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2(C)CC(C)C(=NC(C)C3OC(=O)OC13C)O2.O=C(O)NCc1cccc(Cl)c1

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

Other Identifiers

Properties
HBA: 17 RingCount: 6
HBD: 2 FractionCSP3: 0.78
AlogP: 6.18 Num_rotatable_bonds: 10
MolWt: 924.53 Num_heavy_atoms: 64
TPSA: 191.37 NumAromaticRings: 1

Unique Aglycone
AD16740
Formula: C30H50O10N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2(C)CC(C)C(=NC(C)C3OC(=O)OC13C)O2
HBA: 12 RingCount: 4
HBD: 2 FractionCSP3: 0.9
AlogP: 2.66 Num_rotatable_bonds: 4
MolWt: 598.73 Num_heavy_atoms: 42
TPSA: 145.58 NumAromaticRings: 0
AD16741
Formula: C9H8O2NCl

Smiles:
O=C(O)NCc1cccc(Cl)c1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.12
AlogP: 2.11 Num_rotatable_bonds: 2
MolWt: 185.61 Num_heavy_atoms: 12
TPSA: 49.33 NumAromaticRings: 1

Sugarmoiety
SD00005

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