Glycoside
...
GD129336

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

Formula:
C33H39O11N5

Smiles:
CNC(=N)NC(CCO)c1c(CCc2ccc(=N)[nH]c2)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)C(O)C3O)cc(OC)cc1C2=O

Aglycone:
CNC(=N)NC(CCO)c1c(CCc2ccc(=N)[nH]c2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O

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

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 11 FractionCSP3: 0.39
AlogP: -0.89 Num_rotatable_bonds: 11
MolWt: 681.7 Num_heavy_atoms: 49
TPSA: 270.76 NumAromaticRings: 3

Unique Aglycone
AD52398
Formula: C27H29O6N5

Smiles:
CNC(=N)NC(CCO)c1c(CCc2ccc(=N)[nH]c2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O
HBA: 11 RingCount: 4
HBD: 8 FractionCSP3: 0.26
AlogP: 1.64 Num_rotatable_bonds: 8
MolWt: 519.56 Num_heavy_atoms: 38
TPSA: 191.61 NumAromaticRings: 3

Sugarmoiety
SD00003

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