Glycoside
GD151174
Name:
2-({4-ethenyl-4a-hydroxy-8-oxo-3H,4H,4aH,5H,6H,8H-pyrano[3,4-c]pyran-3-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,3',6-trihydroxy-[1,1'-biphenyl]-2-carboxylateFormula:
C29H30O14Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2OC(=O)c2c(O)ccc(O)c2-c2cccc(O)c2)OC=C2C(=O)OCCC21OAglycone:
C=CC1C(O)OC=C2C(=O)OCCC21O.O=C(O)c1c(O)ccc(O)c1-c1cccc(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 602.55 | Num_heavy_atoms: | 43 |
| TPSA: | 221.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD13512
Formula: C10H12O5
Smiles:
C=CC1C(O)OC=C2C(=O)OCCC21O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
AD60315
Formula: C13H10O5
Smiles:
O=C(O)c1c(O)ccc(O)c1-c1cccc(O)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.22 | Num_heavy_atoms: | 18 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
