Glycoside
GD126545
Name:
7-[(3-{2-[(diaminomethylidene)amino]ethoxy}-4,5-dihydroxy-6-methyloxan-2-yl)oxy]-5-hydroxy-6-{[3-(hydroxymethyl)phenyl]methyl}-9,10-dioxo-1-(2-phenylethenyl)-9,10-dihydroanthracen-2-yl acetateFormula:
C41H41O11N3Smiles:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3OCCNC(=N)N)c(Cc3cccc(CO)c3)c(O)c1C2=OAglycone:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(Cc3cccc(CO)c3)c(O)c1C2=O.N=C(N)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.27 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 12 |
| MolWt: | 751.79 | Num_heavy_atoms: | 55 |
| TPSA: | 230.95 | 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 |
AD49613
Formula: C32H24O7
Smiles:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(Cc3cccc(CO)c3)c(O)c1C2=O| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.09 |
| AlogP: | 5.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 520.54 | Num_heavy_atoms: | 39 |
| TPSA: | 121.13 | NumAromaticRings: | 4 |
