Glycoside
GD153774
Name:
BallotetrosideFormula:
C39H52O23Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC1C(COC2OCC(O)(CO)C2O)OC(OCCc2ccc(O)c(O)c2)C(O)C1CC1OC(O)C(O)C(O)C1OC1OCC(O)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.OCCc1ccc(O)c(O)c1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(CC3OC(O)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.62 |
| AlogP: | -4.49 | Num_rotatable_bonds: | 15 |
| MolWt: | 888.82 | Num_heavy_atoms: | 62 |
| TPSA: | 374.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD00128
Formula: C8H10O3
Smiles:
OCCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
