Glycoside
...
GD129167

Name:
N'-{3-hydroxy-1-[1-hydroxy-5-(hydroxymethyl)-6-methoxy-3-methyl-9,10-dioxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-2-yl]propyl}-N-methylguanidine

Formula:
C28H35O12N3

Smiles:
CNC(=N)NC(CCO)c1c(C)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)C(O)C3O)cc(OC)c(CO)c1C2=O

Aglycone:
CNC(=N)NC(CCO)c1c(C)cc2c(c1O)C(=O)c1c(O)cc(OC)c(CO)c1C2=O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 10 FractionCSP3: 0.46
AlogP: -1.68 Num_rotatable_bonds: 9
MolWt: 605.6 Num_heavy_atoms: 43
TPSA: 251.35 NumAromaticRings: 2

Unique Aglycone
AD50467
Formula: C22H25O7N3

Smiles:
CNC(=N)NC(CCO)c1c(C)cc2c(c1O)C(=O)c1c(O)cc(OC)c(CO)c1C2=O
HBA: 10 RingCount: 3
HBD: 7 FractionCSP3: 0.32
AlogP: 0.85 Num_rotatable_bonds: 6
MolWt: 443.46 Num_heavy_atoms: 32
TPSA: 172.2 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O