Glycoside
GD034278
Name:
NoneFormula:
C56H62O31Smiles:
C[C@@H]1O[C@H](OC[C@@H]2O[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4c5c(cc(O)c4c3=O)Oc3cc(O)c(O)cc3[C@H]5CO[C@@H]3O[C@H](CO[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)[C@H](OC(=O)C=Cc4ccc(O)c(O)c4)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c3c(cc(O)c12)Oc1cc(O)c(O)cc1C3COSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 31 | RingCount: | 10 |
| HBD: | 18 | FractionCSP3: | 0.46 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 15 |
| MolWt: | 1231.08 | Num_heavy_atoms: | 87 |
| TPSA: | 503.72 | NumAromaticRings: | 5 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD21807
Formula: C23H16O10
Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c3c(cc(O)c12)Oc1cc(O)c(O)cc1C3CO| HBA: | 10 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.09 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 452.37 | Num_heavy_atoms: | 33 |
| TPSA: | 181.05 | NumAromaticRings: | 4 |
