Glycoside
GD149047
Name:
6-{[3-(diaminomethyl)phenyl]methyl}-7-[(3-{2-[(diaminomethylidene)amino]ethoxy}-4,5-dihydroxy-6-methyloxan-2-yl)oxy]-5-hydroxy-9,10-dioxo-1-(2-phenylethenyl)-9,10-dihydroanthracen-2-yl acetateFormula:
C41H43O10N5Smiles:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3OCCNC(=N)N)c(Cc3cccc(C(N)N)c3)c(O)c1C2=OAglycone:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=O.N=C(N)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.27 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 12 |
| MolWt: | 765.82 | Num_heavy_atoms: | 56 |
| TPSA: | 262.76 | NumAromaticRings: | 4 |
Unique Aglycone
AD44928
Formula: C3H9ON3
Smiles:
N=C(N)NCCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 103.12 | Num_heavy_atoms: | 7 |
| TPSA: | 82.13 | NumAromaticRings: | 0 |
AD50547
Formula: C32H26O6N2
Smiles:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=O| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.09 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 534.57 | Num_heavy_atoms: | 40 |
| TPSA: | 152.94 | NumAromaticRings: | 4 |
