Glycoside
GD134049
Name:
NoneFormula:
C34H35O13Smiles:
C=Cc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2OC2OC(COC(=O)C=Cc3ccc(O)c(O)c3)C(O)C(O)C2O)cc(OC)c1CAglycone:
C=Cc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2O)cc(OC)c1C.COC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.26 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 651.64 | Num_heavy_atoms: | 47 |
| TPSA: | 207.5 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
AD54232
Formula: C19H19O5
Smiles:
C=Cc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2O)cc(OC)c1C| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.16 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 327.36 | Num_heavy_atoms: | 24 |
| TPSA: | 81.82 | NumAromaticRings: | 2 |
