Glycoside
GD006848
Name:
NoneFormula:
C42H38O21Smiles:
C[C@@H]1O[C@H](OC[C@@H]2O[C@H](Oc3c(-c4ccc(O)cc4)oc4c([C@@]56O[C@@]5(c5ccc(O)cc5)Oc5cc(O)cc(O)c5C6=O)c(O)cc(O)c4c3=O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C1c2c(O)cc(O)cc2OC2(c3ccc(O)cc3)OC12c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.33 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 878.75 | Num_heavy_atoms: | 63 |
| TPSA: | 348.72 | NumAromaticRings: | 5 |
Unique Aglycone
AD05293
Formula: C30H18O12
Smiles:
O=C1c2c(O)cc(O)cc2OC2(c3ccc(O)cc3)OC12c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12| HBA: | 12 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.07 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 570.46 | Num_heavy_atoms: | 42 |
| TPSA: | 210.65 | NumAromaticRings: | 5 |
