Glycoside
GD128956
Name:
Haploside CFormula:
C31H36O18Smiles:
COc1cc(-c2oc3c(OC)c(OC4OC(COC(C)=O)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)cc(O)c3c(=O)c2O)ccc1OAglycone:
COC(C)=O.COc1cc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2O)ccc1OSugarmoiety:
CC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 9 |
| MolWt: | 696.61 | Num_heavy_atoms: | 49 |
| TPSA: | 273.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD47081
Formula: C17H14O8
Smiles:
COc1cc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2O)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.29 | Num_heavy_atoms: | 25 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
