Glycoside
GD151773
Name:
3-methyl-5-oxo-5-({3,4,5-trihydroxy-6-[(2,4,4-trimethyl-3,6-dioxocyclohex-1-en-1-yl)oxy]oxan-2-yl}methoxy)pent-3-enoic acidFormula:
C21H28O11Smiles:
CC(=CC(=O)OCC1OC(OC2=C(C)C(=O)C(C)(C)CC2=O)C(O)C(O)C1O)CC(=O)OAglycone:
CC1=C(O)C(=O)CC(C)(C)C1=O.COC(=O)C=C(C)CC(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 456.44 | Num_heavy_atoms: | 32 |
| TPSA: | 176.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD60492
Formula: C9H12O3
Smiles:
CC1=C(O)C(=O)CC(C)(C)C1=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 168.19 | Num_heavy_atoms: | 12 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
AD60493
Formula: C7H10O4
Smiles:
COC(=O)C=C(C)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 158.15 | Num_heavy_atoms: | 11 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
