Glycoside
GD037195
Name:
NoneFormula:
C31H28O13Smiles:
COc1cc(C=CC(=O)OC[C@@H]2O[C@H](Oc3ccc4c(=O)c(-c5ccc(O)c(O)c5)coc4c3)[C@H](O)[C@H](O)[C@H]2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)ccc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.23 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 608.55 | Num_heavy_atoms: | 44 |
| TPSA: | 205.58 | NumAromaticRings: | 4 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD23443
Formula: C15H10O5
Smiles:
O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)ccc12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
