Glycoside
GD153153
Name:
7-[(6-cyclopentyl-3,4,5-trihydroxyoxan-2-yl)oxy]-6-{[3-(diaminomethyl)phenyl]methyl}-5-hydroxy-9,10-dioxo-1-(2-phenylethenyl)-9,10-dihydroanthracen-2-yl acetateFormula:
C42H42O10N2Smiles:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(OC3OC(C4CCCC4)C(O)C(O)C3O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=OAglycone:
C1CCCC1.CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.31 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 734.8 | Num_heavy_atoms: | 54 |
| TPSA: | 211.86 | NumAromaticRings: | 4 |
Unique Aglycone
AD45286
Formula: C5H10
Smiles:
C1CCCC1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 0 |
| MolWt: | 70.14 | Num_heavy_atoms: | 5 |
| TPSA: | 0.0 | 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 |
