Glycoside
GD005275
Name:
TUBULOSIDE BFormula:
C32H40O16Smiles:
CC(=O)O[C@H]1[C@H](OCCc2ccc(O)c(O)c2)O[C@@H](COC(=O)C=Cc2ccc(O)c(O)c2)[C@@H](O)[C@H]1OC[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.OCCc1ccc(O)c(O)c1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OCC1OC(C)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 12 |
| MolWt: | 680.66 | Num_heavy_atoms: | 48 |
| TPSA: | 251.36 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
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 |
