Glycoside
GD120020
Name:
5,7-dihydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-({[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C27H34O15Smiles:
COc1cc(C=CC(=O)OCC2OC(OC3OC=C(C(=O)O)C4C(O)CC(C)(O)C34)C(O)C(O)C2O)cc(OC)c1OAglycone:
CC1(O)CC(O)C2C(C(=O)O)=COC(O)C21.COC(=O)C=Cc1cc(OC)c(O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 598.55 | Num_heavy_atoms: | 42 |
| TPSA: | 231.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD03982
Formula: C12H14O5
Smiles:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD06600
Formula: C10H14O6
Smiles:
CC1(O)CC(O)C2C(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 |
