Glycoside
GD124330
Name:
7-[(3-{2-[(diaminomethylidene)amino]ethoxy}-4,5-dihydroxy-6-methyloxan-2-yl)oxy]-5-hydroxy-6-methyl-9,10-dioxo-1-(2-phenylethenyl)-9,10-dihydroanthracen-2-yl acetateFormula:
C34H35O10N3Smiles:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3OCCNC(=N)N)c(C)c(O)c1C2=OAglycone:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(C)c(O)c1C2=O.N=C(N)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 9 |
| MolWt: | 645.67 | Num_heavy_atoms: | 47 |
| TPSA: | 210.72 | NumAromaticRings: | 3 |
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 |
AD50218
Formula: C25H18O6
Smiles:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(C)c(O)c1C2=O| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 414.41 | Num_heavy_atoms: | 31 |
| TPSA: | 100.9 | NumAromaticRings: | 3 |
