Glycoside
...
GD024215

Name:
None

Formula:
C30H38O9N2

Smiles:
CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c(CN4CCC(O)CC4)cc(=O)oc3c2C)OC1(C)C

Aglycone:
Cc1c(O)ccc2c(CN3CCC(O)CC3)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: 0.53
AlogP: 2.81 Num_rotatable_bonds: 7
MolWt: 570.64 Num_heavy_atoms: 41
TPSA: 143.69 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
AD16183
Formula: C16H19O4N

Smiles:
Cc1c(O)ccc2c(CN3CCC(O)CC3)cc(=O)oc12
HBA: 5 RingCount: 3
HBD: 2 FractionCSP3: 0.44
AlogP: 1.76 Num_rotatable_bonds: 2
MolWt: 289.33 Num_heavy_atoms: 21
TPSA: 73.91 NumAromaticRings: 2

Sugarmoiety
SD00066

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