Glycoside
...
GD125712

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

Formula:
C29H37O12N3

Smiles:
CNC(=N)NCc1c(CCCCO)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)C(O)C3O)cc(OC)c(CO)c1C2=O

Aglycone:
CNC(=N)NCc1c(CCCCO)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: 0.48
AlogP: -1.59 Num_rotatable_bonds: 11
MolWt: 619.62 Num_heavy_atoms: 44
TPSA: 251.35 NumAromaticRings: 2

Unique Aglycone
AD47363
Formula: C23H27O7N3

Smiles:
CNC(=N)NCc1c(CCCCO)cc2c(c1O)C(=O)c1c(O)cc(OC)c(CO)c1C2=O
HBA: 10 RingCount: 3
HBD: 7 FractionCSP3: 0.35
AlogP: 0.93 Num_rotatable_bonds: 8
MolWt: 457.48 Num_heavy_atoms: 33
TPSA: 172.2 NumAromaticRings: 2

Sugarmoiety
SD00003

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