Glycoside
...
GD002340

Name:
None

Formula:
C29H37O8N3

Smiles:
CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c(CN4CCNCC4)cc(=O)oc3c2C)OC1(C)C

Aglycone:
Cc1c(O)ccc2c(CN3CCNCC3)cc(=O)oc12.Cc1ccc(C(=O)O)[nH]1

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

Other Identifiers

Properties
HBA: 11 RingCount: 5
HBD: 3 FractionCSP3: 0.52
AlogP: 2.26 Num_rotatable_bonds: 7
MolWt: 555.63 Num_heavy_atoms: 40
TPSA: 135.49 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
AD02243
Formula: C15H18O3N2

Smiles:
Cc1c(O)ccc2c(CN3CCNCC3)cc(=O)oc12
HBA: 5 RingCount: 3
HBD: 2 FractionCSP3: 0.4
AlogP: 1.21 Num_rotatable_bonds: 2
MolWt: 274.32 Num_heavy_atoms: 20
TPSA: 65.71 NumAromaticRings: 2

Sugarmoiety
SD00066

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