Glycoside
GD031724
Name:
NoneFormula:
C30H28O14Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2c(-c3ccccc3C(=O)O)oc3ccccc3c2=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.O=C(O)c1ccccc1-c1oc2ccccc2c(=O)c1OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 9 |
| MolWt: | 612.54 | Num_heavy_atoms: | 44 |
| TPSA: | 191.17 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD20418
Formula: C16H10O5
Smiles:
O=C(O)c1ccccc1-c1oc2ccccc2c(=O)c1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 2 |
| MolWt: | 282.25 | Num_heavy_atoms: | 21 |
| TPSA: | 87.74 | NumAromaticRings: | 3 |
