Glycoside
...
GD033821

Name:
None

Formula:
C29H37O10N3

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

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

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 4 FractionCSP3: 0.48
AlogP: 1.85 Num_rotatable_bonds: 9
MolWt: 587.63 Num_heavy_atoms: 42
TPSA: 172.79 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
AD21561
Formula: C15H18O5N2

Smiles:
Cc1c(O)ccc2c(O)c(C(=O)NCCN(C)C)c(=O)oc12
HBA: 7 RingCount: 2
HBD: 3 FractionCSP3: 0.33
AlogP: 0.8 Num_rotatable_bonds: 4
MolWt: 306.32 Num_heavy_atoms: 22
TPSA: 103.01 NumAromaticRings: 2

Sugarmoiety
SD00066

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