Glycoside
GD137270
Name:
NoneFormula:
C42H49O24Smiles:
O=C(C=Cc1ccc(O)cc1)OC1C(O)C(CO)OC(OC2C(OC3=C(c4cc(O)c(O)c(O)c4)OC4C=C(O)C=C(OC5OC(C[OH2+])C(O)C(O)C5O)C4=C3)OC(CO)C(O)C2O)C1OAglycone:
O=C(O)C=Cc1ccc(O)cc1.OC1=CC2OC(c3cc(O)c(O)c(O)c3)=C(O)C=C2C(O)=C1Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 7 |
| HBD: | 16 | FractionCSP3: | 0.45 |
| AlogP: | -3.7 | Num_rotatable_bonds: | 13 |
| MolWt: | 937.83 | Num_heavy_atoms: | 66 |
| TPSA: | 397.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD45076
Formula: C15H12O7
Smiles:
OC1=CC2OC(c3cc(O)c(O)c(O)c3)=C(O)C=C2C(O)=C1| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 130.61 | NumAromaticRings: | 1 |
