Glycoside
...
GD004082

Name:
BECATECARIN

Formula:
C35H34O7N4Cl2

Smiles:
CCN(CC)CCN1C(=O)c2c(c3c4cccc(Cl)c4n([C@@H]4O[C@H](CO)[C@H](OC)[C@H](O)[C@H]4O)c3c3[nH]c4c(Cl)cccc4c23)C1=O

Aglycone:
CCN(CC)CCN1C(=O)c2c(c3c4cccc(Cl)c4[nH]c3c3[nH]c4c(Cl)cccc4c23)C1=O

Sugarmoiety:
COC1C(CO)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 7
HBD: 4 FractionCSP3: 0.39
AlogP: 4.3 Num_rotatable_bonds: 8
MolWt: 669.56 Num_heavy_atoms: 46
TPSA: 140.49 NumAromaticRings: 5

Unique Aglycone
AD03619
Formula: C28H22O2N4Cl2

Smiles:
CCN(CC)CCN1C(=O)c2c(c3c4cccc(Cl)c4[nH]c3c3[nH]c4c(Cl)cccc4c23)C1=O
HBA: 6 RingCount: 6
HBD: 2 FractionCSP3: 0.23
AlogP: 6.2 Num_rotatable_bonds: 5
MolWt: 493.39 Num_heavy_atoms: 34
TPSA: 72.2 NumAromaticRings: 5

Sugarmoiety
SD00246

COC1C(CO)OC(O)C(O)C1O