Glycoside
...
GD137110

Name:
4-({4-[2-(2-aminopiperidin-1-ium-4-yl)ethyl]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-7-(cyclohexylmethyl)-5-hydroxy-9,10-dioxo-1,2,3,4,4a,8a,9,9a,10,10a-decahydroanthracen-1-yl

Formula:
C34H40O9N2

Smiles:
Nc1cc(CCC2(O)C(O)C(CO)OC(Oc3cccc4c3C(=O)C3C(O)=CC(CC5CCCCC5)=CC3C4=[O+])C2O)ccn1

Aglycone:
CCc1ccnc(N)c1.O=C1c2c(O)cccc2C(=[OH+])C2C=C(CC3CCCCC3)C=C(O)C12

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

Other Identifiers

Properties
HBA: 11 RingCount: 6
HBD: 7 FractionCSP3: 0.5
AlogP: 2.81 Num_rotatable_bonds: 8
MolWt: 620.7 Num_heavy_atoms: 45
TPSA: 195.49 NumAromaticRings: 2

Unique Aglycone
AD47364
Formula: C7H10N2

Smiles:
CCc1ccnc(N)c1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.29
AlogP: 1.23 Num_rotatable_bonds: 1
MolWt: 122.17 Num_heavy_atoms: 9
TPSA: 38.91 NumAromaticRings: 1
AD55408
Formula: C21H23O4

Smiles:
O=C1c2c(O)cccc2C(=[OH+])C2C=C(CC3CCCCC3)C=C(O)C12
HBA: 4 RingCount: 4
HBD: 3 FractionCSP3: 0.43
AlogP: 4.07 Num_rotatable_bonds: 2
MolWt: 339.41 Num_heavy_atoms: 25
TPSA: 78.93 NumAromaticRings: 1

Sugarmoiety
SD04501

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