Glycoside
GD132468
Name:
6-({3-[2-(2-aminopiperidin-1-ium-4-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-7-(cyclohexylmethyl)-5-hydroxy-9,10-dioxo-tetradecahydroanthracen-1-ylFormula:
C34H32O9N2Smiles:
Nc1cc(CCOC2C(Oc3c(Cc4ccccc4)cc4c(c3O)C(=O)c3ccccc3C4=[O+])OC(CO)C(O)C2O)ccn1Aglycone:
Nc1cc(CCO)ccn1.O=C1c2ccccc2C(=[OH+])c2cc(Cc3ccccc3)c(O)c(O)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.26 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 9 |
| MolWt: | 612.64 | Num_heavy_atoms: | 45 |
| TPSA: | 184.49 | NumAromaticRings: | 4 |
Unique Aglycone
AD53637
Formula: C7H10ON2
Smiles:
Nc1cc(CCO)ccn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 59.14 | NumAromaticRings: | 1 |
AD53638
Formula: C21H15O4
Smiles:
O=C1c2ccccc2C(=[OH+])c2cc(Cc3ccccc3)c(O)c(O)c21| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.05 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 331.35 | Num_heavy_atoms: | 25 |
| TPSA: | 78.93 | NumAromaticRings: | 3 |
