Glycoside
...
GD027607

Name:
None

Formula:
C33H39O9N3

Smiles:
CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c(CN4CCNC(c5ccco5)C4)cc(=O)oc3c2C)OC1(C)C

Aglycone:
Cc1c(O)ccc2c(CN3CCNC(c4ccco4)C3)cc(=O)oc12.Cc1ccc(C(=O)O)[nH]1

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

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 3 FractionCSP3: 0.45
AlogP: 3.59 Num_rotatable_bonds: 8
MolWt: 621.69 Num_heavy_atoms: 45
TPSA: 148.63 NumAromaticRings: 4

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
AD18120
Formula: C19H20O4N2

Smiles:
Cc1c(O)ccc2c(CN3CCNC(c4ccco4)C3)cc(=O)oc12
HBA: 6 RingCount: 4
HBD: 2 FractionCSP3: 0.32
AlogP: 2.55 Num_rotatable_bonds: 3
MolWt: 340.38 Num_heavy_atoms: 25
TPSA: 78.85 NumAromaticRings: 3

Sugarmoiety
SD00066

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