Glycoside
...
GD026234

Name:
None

Formula:
C42H46O12N3Cl

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

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

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

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 1 FractionCSP3: 0.44
AlogP: 5.09 Num_rotatable_bonds: 13
MolWt: 808.28 Num_heavy_atoms: 57
TPSA: 172.23 NumAromaticRings: 4

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
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
SD00012

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