Glycoside
...
GD017615

Name:
None

Formula:
C51H81O13N4Cl

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(=O)CCCNc3ccnc4cc(Cl)ccc34)[C@H]2O)[C@@](C)(O)C[C@H](C)CN(C)[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(=O)CCCNc3ccnc4cc(Cl)ccc34)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 6 FractionCSP3: 0.78
AlogP: 4.89 Num_rotatable_bonds: 12
MolWt: 981.67 Num_heavy_atoms: 68
TPSA: 222.07 NumAromaticRings: 2

Unique Aglycone
AD12556
Formula: C43H67O10N4Cl

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(=O)CCCNc3ccnc4cc(Cl)ccc34)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
HBA: 14 RingCount: 4
HBD: 6 FractionCSP3: 0.74
AlogP: 3.97 Num_rotatable_bonds: 9
MolWt: 823.47 Num_heavy_atoms: 57
TPSA: 194.38 NumAromaticRings: 2

Sugarmoiety
SD00005

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