Glycoside
GD137862
Name:
N'-{[8-({5-[2-(2-aminopyridin-4-yl)ethyl]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-5-ethyl-1-hydroxy-6-methoxy-3-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl]methyl}-N-methylguanidineFormula:
C34H41O10N5Smiles:
CCc1c(OC)cc(OC2OC(CO)C(O)(CCc3cc[nH]c(=N)c3)C(O)C2O)c2c1C(=O)c1cc(C)c(CNC(=N)NC)c(O)c1C2=OAglycone:
CCc1c(OC)cc(O)c2c1C(=O)c1cc(C)c(CNC(=N)NC)c(O)c1C2=O.CCc1cc[nH]c(=N)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.41 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 10 |
| MolWt: | 679.73 | Num_heavy_atoms: | 49 |
| TPSA: | 250.53 | NumAromaticRings: | 3 |
Unique Aglycone
AD45247
Formula: C7H10N2
Smiles:
CCc1cc[nH]c(=N)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 39.64 | NumAromaticRings: | 1 |
AD50074
Formula: C21H23O5N3
Smiles:
CCc1c(OC)cc(O)c2c1C(=O)c1cc(C)c(CNC(=N)NC)c(O)c1C2=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 397.43 | Num_heavy_atoms: | 29 |
| TPSA: | 131.74 | NumAromaticRings: | 2 |
