Glycoside
...
GD000124

Name:
None

Formula:
C31H41O8N3

Smiles:
CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c(N4CCC(N(C)C)CC4)cc(=O)oc3c2C)OC1(C)C

Aglycone:
Cc1c(O)ccc2c(N3CCC(N(C)C)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: 2 FractionCSP3: 0.55
AlogP: 3.38 Num_rotatable_bonds: 7
MolWt: 583.68 Num_heavy_atoms: 42
TPSA: 126.7 NumAromaticRings: 3

Unique Aglycone
AD00151
Formula: C17H22O3N2

Smiles:
Cc1c(O)ccc2c(N3CCC(N(C)C)CC3)cc(=O)oc12
HBA: 5 RingCount: 3
HBD: 1 FractionCSP3: 0.47
AlogP: 2.34 Num_rotatable_bonds: 2
MolWt: 302.37 Num_heavy_atoms: 22
TPSA: 56.92 NumAromaticRings: 2
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

Sugarmoiety
SD00066

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