Glycoside
GD132137
Name:
NoneFormula:
C53H59O27Smiles:
COc1cc(C=CC(=O)OCC2OC(OC3C(OC4=C(c5ccc(O)c(OC)c5)OC5C=C(O)C=C(OC6OC(C[OH2+])C(O)C(O)C6O)C5=C4)OC(COC(=O)C=Cc4ccc(O)c(O)c4)C(O)C3O)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.COC(=O)C=Cc1ccc(O)c(OC)c1.COc1cc(C2=C(O)C=C3C(O)=CC(O)=CC3O2)ccc1OSugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1O.OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 8 |
| HBD: | 15 | FractionCSP3: | 0.4 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 18 |
| MolWt: | 1128.03 | Num_heavy_atoms: | 80 |
| TPSA: | 421.56 | 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 |
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD45656
Formula: C16H14O6
Smiles:
COc1cc(C2=C(O)C=C3C(O)=CC(O)=CC3O2)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 99.38 | NumAromaticRings: | 1 |
