Glycoside
GD114480
Name:
Myriophylloside DFormula:
C41H44O21Smiles:
CC1OC(Oc2cc(O)c3c(=O)c(OC4OCC(O)C(O)C4OC4OC(COC(=O)C=Cc5ccc(O)cc5)C(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1COC(O)C(OC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.41 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 11 |
| MolWt: | 872.78 | Num_heavy_atoms: | 62 |
| TPSA: | 334.42 | NumAromaticRings: | 4 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD00022
Formula: C15H10O6
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
