Glycoside
GD003602
Name:
CRENATOSIDEFormula:
C29H34O15Smiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](OC(=O)C=Cc3ccc(O)c(O)c3)[C@H](CO)O[C@@H]3OC[C@H](c4ccc(O)c(O)c4)O[C@@H]32)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(C=Cc1ccc(O)c(O)c1)OC1C(CO)OC2OCC(c3ccc(O)c(O)c3)OC2C1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 622.58 | Num_heavy_atoms: | 44 |
| TPSA: | 234.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD03256
Formula: C23H24O11
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC1C(CO)OC2OCC(c3ccc(O)c(O)c3)OC2C1O| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 476.43 | Num_heavy_atoms: | 34 |
| TPSA: | 175.37 | NumAromaticRings: | 2 |
