Glycoside
GD028222
Name:
NoneFormula:
C35H42O20Smiles:
COC(=O)C(C)OC(O[C@@H]1[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)O[C@H](C)[C@H](O)[C@H]1O)C(O)C(=O)OCAglycone:
COC(=O)C(C)OC(O)C(O)C(=O)OC.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.51 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 12 |
| MolWt: | 782.7 | Num_heavy_atoms: | 55 |
| TPSA: | 300.03 | NumAromaticRings: | 3 |
Unique Aglycone
AD00022
Formula: C15H10O6
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
AD18469
Formula: C8H14O7
Smiles:
COC(=O)C(C)OC(O)C(O)C(=O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 222.19 | Num_heavy_atoms: | 15 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
