Glycoside
GD135431
Name:
pelargoninFormula:
C27H33O15Smiles:
OCC1OC(OC2=C(c3ccc(O)cc3)OC3C=C(O)C=C(OC4OC(C[OH2+])C(O)C(O)C4O)C3=C2)C(O)C(O)C1OAglycone:
OC1=CC2OC(c3ccc(O)cc3)=C(O)C=C2C(O)=C1Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.48 |
| AlogP: | -2.91 | Num_rotatable_bonds: | 7 |
| MolWt: | 597.55 | Num_heavy_atoms: | 42 |
| TPSA: | 251.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD45989
Formula: C15H12O5
Smiles:
OC1=CC2OC(c3ccc(O)cc3)=C(O)C=C2C(O)=C1| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 90.15 | NumAromaticRings: | 1 |
