Glycoside
...
GD010986

Name:
None

Formula:
C50H81O12N4Cl

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)CCCNc3ccnc4ccc(Cl)cc34)[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)CCCNc3ccnc4ccc(Cl)cc34)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: 16 RingCount: 5
HBD: 6 FractionCSP3: 0.8
AlogP: 4.97 Num_rotatable_bonds: 12
MolWt: 953.66 Num_heavy_atoms: 66
TPSA: 205.0 NumAromaticRings: 2

Unique Aglycone
AD08423
Formula: C42H67O9N4Cl

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)CCCNc3ccnc4ccc(Cl)cc34)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
HBA: 13 RingCount: 4
HBD: 6 FractionCSP3: 0.76
AlogP: 4.05 Num_rotatable_bonds: 9
MolWt: 795.46 Num_heavy_atoms: 55
TPSA: 177.31 NumAromaticRings: 2

Sugarmoiety
SD00005

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