Glycoside
...
GD017010

Name:
None

Formula:
C30H39O8N3

Smiles:
CCN1CCN(c2cc(=O)oc3c(C)c(O[C@@H]4OC(C)(C)[C@H](OC)[C@H](OC(=O)c5ccc(C)[nH]5)[C@H]4O)ccc23)CC1

Aglycone:
CCN1CCN(c2cc(=O)oc3c(C)c(O)ccc23)CC1.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: 0.53
AlogP: 3.0 Num_rotatable_bonds: 7
MolWt: 569.66 Num_heavy_atoms: 41
TPSA: 126.7 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
AD12186
Formula: C16H20O3N2

Smiles:
CCN1CCN(c2cc(=O)oc3c(C)c(O)ccc23)CC1
HBA: 5 RingCount: 3
HBD: 1 FractionCSP3: 0.44
AlogP: 1.95 Num_rotatable_bonds: 2
MolWt: 288.35 Num_heavy_atoms: 21
TPSA: 56.92 NumAromaticRings: 2

Sugarmoiety
SD00066

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