Glycoside
GD154884
Name:
1-(3-cyclopentyl-1-hydroxy-6-methoxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)-4-(1H-pyrrol-3-yl)butane-1,4-dioneFormula:
C30H35O10NSmiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(O)c(C(=O)CCC(=O)c3cc[nH]c3)c(C3CCCC3)cc2c1Aglycone:
COc1cc(O)c2c(O)c(C(=O)CCC(=O)c3cc[nH]c3)c(C3CCCC3)cc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 10 |
| MolWt: | 569.61 | Num_heavy_atoms: | 41 |
| TPSA: | 178.77 | NumAromaticRings: | 3 |
Unique Aglycone
AD61476
Formula: C24H25O5N
Smiles:
COc1cc(O)c2c(O)c(C(=O)CCC(=O)c3cc[nH]c3)c(C3CCCC3)cc2c1| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 5.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 407.47 | Num_heavy_atoms: | 30 |
| TPSA: | 99.62 | NumAromaticRings: | 3 |
