Glycoside
GD108990
Name:
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-7-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-4H-chromene-2-carboxylic acidFormula:
C32H30O16Smiles:
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(=O)O)oc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.O=C(O)c1oc2cc(O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 670.58 | Num_heavy_atoms: | 48 |
| TPSA: | 209.63 | 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 |
AD44221
Formula: C18H12O7
Smiles:
O=C(O)c1oc2cc(O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 340.29 | Num_heavy_atoms: | 25 |
| TPSA: | 106.2 | NumAromaticRings: | 3 |
