Glycoside
...
GD028397

Name:
None

Formula:
C40H44O10N3Cl

Smiles:
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](C)O[C@H](Oc2cc3c(c4ccccc24)[C@H]([C@H](C)Cl)CN3C(=O)c2cc3cc(OCCN(C)C)ccc3[nH]2)[C@@H]1OC(C)=O

Aglycone:
CC(Cl)C1CN(C(=O)c2cc3cc(OCCN(C)C)ccc3[nH]2)c2cc(O)c3ccccc3c21

Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 1 FractionCSP3: 0.44
AlogP: 5.55 Num_rotatable_bonds: 11
MolWt: 750.24 Num_heavy_atoms: 53
TPSA: 145.93 NumAromaticRings: 4

Unique Aglycone
AD03127
Formula: C28H28O3N3Cl

Smiles:
CC(Cl)C1CN(C(=O)c2cc3cc(OCCN(C)C)ccc3[nH]2)c2cc(O)c3ccccc3c21
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.3
AlogP: 5.34 Num_rotatable_bonds: 6
MolWt: 477.99 Num_heavy_atoms: 34
TPSA: 68.8 NumAromaticRings: 4

Sugarmoiety
SD00522

CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=O