Glycoside
GD141564
Name:
6,7-dihydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C25H30O13Smiles:
CC1(O)C(O)CC2C(C(=O)O)=COC(OC3OC(COC(=O)C=Cc4ccc(O)cc4)C(O)C(O)C3O)C21Aglycone:
CC1(O)C(O)CC2C(C(=O)O)=COC(O)C21.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 538.5 | Num_heavy_atoms: | 38 |
| TPSA: | 212.67 | NumAromaticRings: | 1 |
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 |
AD57017
Formula: C10H14O6
Smiles:
CC1(O)C(O)CC2C(C(=O)O)=COC(O)C21| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 230.22 | Num_heavy_atoms: | 16 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
