Glycoside
GD147688
Name:
N'-({3-[2-(6-aminopyridin-3-yl)ethyl]-8-({5-[2-(2-aminopyridin-4-yl)ethyl]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-5-ethyl-1-hydroxy-6-methoxy-9,10-dioxo-9,10-dihydroanthracen-2-yl}methyl)-N-methylguanidineFormula:
C40H47O10N7Smiles:
CCc1c(OC)cc(OC2OC(CO)C(O)(CCc3cc[nH]c(=N)c3)C(O)C2O)c2c1C(=O)c1cc(CCc3ccc(=N)[nH]c3)c(CNC(=N)NC)c(O)c1C2=OAglycone:
CCc1c(OC)cc(O)c2c1C(=O)c1cc(CCc3ccc(=N)[nH]c3)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: | 17 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.38 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 13 |
| MolWt: | 785.85 | Num_heavy_atoms: | 57 |
| TPSA: | 290.17 | NumAromaticRings: | 4 |
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 |
AD48153
Formula: C27H29O5N5
Smiles:
CCc1c(OC)cc(O)c2c1C(=O)c1cc(CCc3ccc(=N)[nH]c3)c(CNC(=N)NC)c(O)c1C2=O| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.26 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 503.56 | Num_heavy_atoms: | 37 |
| TPSA: | 171.38 | NumAromaticRings: | 3 |
