Glycoside
GD029042
Name:
NoneFormula:
C118H150O17Smiles:
CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)OC[C@@H]2O[C@H](O[C@@H]3O[C@H](COC(=O)c4ccc(OCCCCCCCCCCCCCCCCCC)cc4OCc4ccccc4)[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c(OCc2ccccc2)c1Aglycone:
CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)OC)c(OCc2ccccc2)c1.CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)OC)c(OCc2ccccc2)c1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 12 |
| HBD: | 0 | FractionCSP3: | 0.47 |
| AlogP: | 28.12 | Num_rotatable_bonds: | 68 |
| MolWt: | 1840.48 | Num_heavy_atoms: | 135 |
| TPSA: | 172.59 | NumAromaticRings: | 10 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD18931
Formula: C33H50O4
Smiles:
CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)OC)c(OCc2ccccc2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.61 |
| AlogP: | 9.69 | Num_rotatable_bonds: | 22 |
| MolWt: | 510.76 | Num_heavy_atoms: | 37 |
| TPSA: | 44.76 | NumAromaticRings: | 2 |
