Glycoside
...
GD007894

Name:
None

Formula:
C29H34O12N2

Smiles:
CCOC(=O)C(=NOC)c1c(O)oc2c(C)c(O[C@@H]3OC(C)(C)[C@H](OC)[C@H](OC(=O)c4ccc(C)[nH]4)[C@H]3O)ccc2c1=O

Aglycone:
CCOC(=O)C(=NOC)c1c(O)oc2c(C)c(O)ccc2c1=O.Cc1ccc(C(=O)O)[nH]1

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 3 FractionCSP3: 0.45
AlogP: 2.47 Num_rotatable_bonds: 9
MolWt: 602.59 Num_heavy_atoms: 43
TPSA: 188.34 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
AD06376
Formula: C15H15O7N

Smiles:
CCOC(=O)C(=NOC)c1c(O)oc2c(C)c(O)ccc2c1=O
HBA: 8 RingCount: 2
HBD: 2 FractionCSP3: 0.27
AlogP: 1.43 Num_rotatable_bonds: 4
MolWt: 321.29 Num_heavy_atoms: 23
TPSA: 118.56 NumAromaticRings: 2

Sugarmoiety
SD00066

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