Glycoside
GD121548
Name:
6-({5,6-dihydroxy-2-[4-hydroxy-2-(naphthalen-2-yl)phenyl]-4-oxo-4H-chromen-7-yl}oxy)-3,4,5-trihydroxy-2-[(methylazaniumyl)methyl]oxane-2-carboxylateFormula:
C33H29O12NSmiles:
CNCC1(C(=O)O)OC(Oc2cc3oc(-c4ccc(O)cc4-c4ccc5ccccc5c4)cc(=O)c3c(O)c2O)C(O)C(O)C1OAglycone:
O=c1cc(-c2ccc(O)cc2-c2ccc3ccccc3c2)oc2cc(O)c(O)c(O)c12Sugarmoiety:
CNCC1(C(=O)O)OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.21 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 631.59 | Num_heavy_atoms: | 46 |
| TPSA: | 219.38 | NumAromaticRings: | 5 |
Unique Aglycone
AD48933
Formula: C25H16O6
Smiles:
O=c1cc(-c2ccc(O)cc2-c2ccc3ccccc3c2)oc2cc(O)c(O)c(O)c12| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 412.4 | Num_heavy_atoms: | 31 |
| TPSA: | 111.13 | NumAromaticRings: | 5 |
