Glycoside
...
GD155498

Name:
4-({5-[2-(2-aminopyridin-4-yl)ethyl]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-5-hydroxy-1-(hydroxymethyl)-2-methoxy-7-methyl-9,10-dihydroanthracene-9,10-dione

Formula:
C30H32O11N2

Smiles:
COc1cc(OC2OC(CO)C(O)(CCc3cc[nH]c(=N)c3)C(O)C2O)c2c(c1CO)C(=O)c1cc(C)cc(O)c1C2=O

Aglycone:
CCc1cc[nH]c(=N)c1.COc1cc(O)c2c(c1CO)C(=O)c1cc(C)cc(O)c1C2=O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 8 FractionCSP3: 0.37
AlogP: -0.03 Num_rotatable_bonds: 8
MolWt: 596.59 Num_heavy_atoms: 43
TPSA: 222.85 NumAromaticRings: 3

Unique Aglycone
AD45247
Formula: C7H10N2

Smiles:
CCc1cc[nH]c(=N)c1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.29
AlogP: 1.06 Num_rotatable_bonds: 1
MolWt: 122.17 Num_heavy_atoms: 9
TPSA: 39.64 NumAromaticRings: 1
AD50914
Formula: C17H14O6

Smiles:
COc1cc(O)c2c(c1CO)C(=O)c1cc(C)cc(O)c1C2=O
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.18
AlogP: 1.68 Num_rotatable_bonds: 2
MolWt: 314.29 Num_heavy_atoms: 23
TPSA: 104.06 NumAromaticRings: 2

Sugarmoiety
SD04299

OCC1OC(O)C(O)C(O)C1(O)O