Glycoside
GD153372
Name:
4-({4-[2-(2-aminopiperidin-1-ium-4-yl)ethyl]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-5-hydroxy-7-methyl-9,10-dioxo-1,2,3,4,4a,8a,9,9a,10,10a-decahydroanthracen-1-ylFormula:
C28H30O9N2Smiles:
CC1=CC2C(=[O+])c3cccc(OC4OC(CO)C(O)C(O)(CCc5ccnc(N)c5)C4O)c3C(=O)C2C(O)=C1Aglycone:
CC1=CC2C(=[OH+])c3cccc(O)c3C(=O)C2C(O)=C1.CCc1ccnc(N)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 6 |
| MolWt: | 538.55 | Num_heavy_atoms: | 39 |
| 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 |
AD55990
Formula: C15H13O4
Smiles:
CC1=CC2C(=[OH+])c3cccc(O)c3C(=O)C2C(O)=C1| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 257.26 | Num_heavy_atoms: | 19 |
| TPSA: | 78.93 | NumAromaticRings: | 1 |
