Glycoside
GD004212
Name:
17-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]tricyclo[12.3.1.1²,â¶]nonadeca-1(18),2(19),3,5,10,14,16-heptaen-9-oneFormula:
C30H36O12Smiles:
O=C1C=CCCc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(c2)-c2cc(ccc2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)CC1Aglycone:
O=C1C=CCCc2ccc(O)c(c2)-c2cc(ccc2O)CC1Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 588.61 | Num_heavy_atoms: | 42 |
| TPSA: | 195.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD03710
Formula: C19H18O3
Smiles:
O=C1C=CCCc2ccc(O)c(c2)-c2cc(ccc2O)CC1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 0 |
| MolWt: | 294.35 | Num_heavy_atoms: | 22 |
| TPSA: | 57.53 | NumAromaticRings: | 2 |
