Glycoside
GD133064
Name:
SubulatinFormula:
C32H34O18Smiles:
O=C(C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1)OC1C=C(C(=O)O)OC(C(O)CO)C1OC(=O)C=Cc1ccc(O)c(O)c1Aglycone:
O=C(C=Cc1ccc(O)c(O)c1)OC1C=C(C(=O)O)OC(C(O)CO)C1OC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.34 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 12 |
| MolWt: | 706.61 | Num_heavy_atoms: | 50 |
| TPSA: | 299.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD53864
Formula: C26H24O13
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC1C=C(C(=O)O)OC(C(O)CO)C1OC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.19 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 9 |
| MolWt: | 544.47 | Num_heavy_atoms: | 39 |
| TPSA: | 220.51 | NumAromaticRings: | 2 |
