Glycoside
...
GD003134

Name:
None

Formula:
C32H40O9N3Cl

Smiles:
CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c(OCCN4CCN(C)CC4)c(Cl)c(=O)oc3c2C)OC1(C)C

Aglycone:
Cc1c(O)ccc2c(OCCN3CCN(C)CC3)c(Cl)c(=O)oc12.Cc1ccc(C(=O)O)[nH]1

Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 2 FractionCSP3: 0.55
AlogP: 3.13 Num_rotatable_bonds: 9
MolWt: 634.13 Num_heavy_atoms: 44
TPSA: 135.93 NumAromaticRings: 3

Unique Aglycone
AD00152
Formula: C6H7O2N

Smiles:
Cc1ccc(C(=O)O)[nH]1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: 1.02 Num_rotatable_bonds: 1
MolWt: 125.13 Num_heavy_atoms: 9
TPSA: 53.09 NumAromaticRings: 1
AD02880
Formula: C18H21O4N2Cl

Smiles:
Cc1c(O)ccc2c(OCCN3CCN(C)CC3)c(Cl)c(=O)oc12
HBA: 6 RingCount: 3
HBD: 1 FractionCSP3: 0.47
AlogP: 2.09 Num_rotatable_bonds: 4
MolWt: 352.82 Num_heavy_atoms: 24
TPSA: 66.15 NumAromaticRings: 2

Sugarmoiety
SD00066

COC1C(O)C(O)C(O)OC1(C)C