Glycoside
...
GD124334

Name:
4-{[4-({2-amino-dodecahydro-1H-cyclopenta[f]isoquinolin-3-ium-9a-yl}methyl)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-7-{[3-(hydroxymethyl)cyclohexyl]methyl}-9,10-dioxo-1,2,3,4,4a,8a,9,9a,10,10a-decahydroanthracen-1-yl

Formula:
C41H44O10N2

Smiles:
Nc1cc2c(cn1)CCC1CCCC21CC1(O)C(O)C(CO)OC(Oc2cccc3c2C(=O)C2C(O)=CC(Cc4cccc(CO)c4)=CC2C3=[O+])C1O

Aglycone:
CC12CCCC1CCc1cnc(N)cc12.O=C1c2c(O)cccc2C(=[OH+])C2C=C(Cc3cccc(CO)c3)C=C(O)C12

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

Other Identifiers

Properties
HBA: 12 RingCount: 8
HBD: 8 FractionCSP3: 0.44
AlogP: 3.02 Num_rotatable_bonds: 8
MolWt: 724.81 Num_heavy_atoms: 53
TPSA: 215.72 NumAromaticRings: 3

Unique Aglycone
AD46914
Formula: C22H19O5

Smiles:
O=C1c2c(O)cccc2C(=[OH+])C2C=C(Cc3cccc(CO)c3)C=C(O)C12
HBA: 5 RingCount: 4
HBD: 4 FractionCSP3: 0.18
AlogP: 2.83 Num_rotatable_bonds: 3
MolWt: 363.39 Num_heavy_atoms: 27
TPSA: 99.16 NumAromaticRings: 2
AD50220
Formula: C13H18N2

Smiles:
CC12CCCC1CCc1cnc(N)cc12
HBA: 2 RingCount: 3
HBD: 2 FractionCSP3: 0.62
AlogP: 2.67 Num_rotatable_bonds: 0
MolWt: 202.3 Num_heavy_atoms: 15
TPSA: 38.91 NumAromaticRings: 1

Sugarmoiety
SD04501

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