Glycoside
GD121946
Name:
NoneFormula:
C53H59O26Smiles:
COc1cc(C=CC(=O)OCC2OC(OC3=C(c4ccc(O)cc4)OC4C=C(O)C=C(OC5OC(C[OH2+])C(O)C(O)C5O)C4=C3)C(OC3OC(CO)C(O)C(O)C3OC(=O)C=Cc3ccc(O)c(OC)c3)C(O)C2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.COc1cc(C=CC(=O)O)ccc1O.OC1=CC2OC(c3ccc(O)cc3)=C(O)C=C2C(O)=C1Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1O.OCC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 8 |
| HBD: | 14 | FractionCSP3: | 0.4 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 18 |
| MolWt: | 1112.03 | Num_heavy_atoms: | 79 |
| TPSA: | 401.33 | NumAromaticRings: | 3 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
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 |
