Glycoside
GD155616
Name:
3-[4-(1-hydroxy-6-methoxy-3-methyl-8-{[3,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)-4-oxobutanoyl]-3H-pyrrol-3-ideFormula:
C27H31O11NSmiles:
COc1cc(OC2OC(C[OH2+])C(O)C(O)C2(O)CO)c2c(O)c(C(=O)CCC(=O)c3cc[n-]c3)c(C)cc2c1Aglycone:
COc1cc(O)c2c(O)c(C(=O)CCC(=O)c3cc[n-]c3)c(C)cc2c1Sugarmoiety:
OCC1(O)C(O)OC(C[OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 10 |
| MolWt: | 545.54 | Num_heavy_atoms: | 39 |
| TPSA: | 199.98 | NumAromaticRings: | 3 |
Unique Aglycone
AD50653
Formula: C20H18O5N
Smiles:
COc1cc(O)c2c(O)c(C(=O)CCC(=O)c3cc[n-]c3)c(C)cc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 352.37 | Num_heavy_atoms: | 26 |
| TPSA: | 97.93 | NumAromaticRings: | 3 |
