Glycoside
GD117783
Name:
NoneFormula:
C42H47O17Smiles:
C=CCC(=C)OCC1CC(O)C(O)C(Oc2cc(O)cc3c2C=C(OC2OC(COC(=O)C=Cc4ccc([OH2+])cc4)C(O)C(O)C2O)C(c2cc(C)c(O)c(O)c2)O3)O1Aglycone:
C=CCC(=C)OC.COC(=O)C=Cc1ccc([OH2+])cc1.Cc1cc(C2Oc3cc(O)cc(O)c3C=C2O)cc(O)c1OSugarmoiety:
OC1CC(O)C(O)C(O)O1.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.36 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 14 |
| MolWt: | 823.82 | Num_heavy_atoms: | 59 |
| TPSA: | 266.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD45655
Formula: C10H11O3
Smiles:
COC(=O)C=Cc1ccc([OH2+])cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 179.19 | Num_heavy_atoms: | 13 |
| TPSA: | 49.2 | NumAromaticRings: | 1 |
AD47009
Formula: C6H10O
Smiles:
C=CCC(=C)OC| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 3 |
| MolWt: | 98.14 | Num_heavy_atoms: | 7 |
| TPSA: | 9.23 | NumAromaticRings: | 0 |
AD47010
Formula: C16H14O6
Smiles:
Cc1cc(C2Oc3cc(O)cc(O)c3C=C2O)cc(O)c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.12 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
