Glycoside
GD125002
Name:
6-({3,5-dihydroxy-2-methyl-6-[(4,5,6-trihydroxy-2-methyloxan-3-yl)oxy]oxan-4-yl}oxy)-2,4-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexahydro-[1,3]dioxolo[4,5-c]pyran-2-carboxylic acidFormula:
C27H44O20Smiles:
CC1OC(OC2C(C)OC(O)C(O)C2O)C(O)C(OC2OC(C)C3OC(C)(C(=O)O)OC3C2OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
CC1OC(O)C(O)C2OC(C)(C(=O)O)OC12Sugarmoiety:
CC1OC(OC2C(C)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | -5.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 688.63 | Num_heavy_atoms: | 47 |
| TPSA: | 302.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD50544
Formula: C9H14O7
Smiles:
CC1OC(O)C(O)C2OC(C)(C(=O)O)OC12| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 234.2 | Num_heavy_atoms: | 16 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
