Glycoside
GD130672
Name:
9b-(2-carboxy-1-hydroxyethyl)-7-[(furan-3-yl)({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-3,3,5a,7-tetramethyl-5-oxo-decahydro-1H-spiro[naphtho[1,2-c]furan-6,2'-oxirane]-3'-carboxylic acidFormula:
C32H44O15Smiles:
CC1(C)OCC2(C(O)CC(=O)O)C1CC(=O)C1(C)C2CCC(C)(C(OC2OC(CO)C(O)C(O)C2O)c2ccoc2)C12OC2C(=O)OAglycone:
CC1(C)OCC2(C(O)CC(=O)O)C1CC(=O)C1(C)C2CCC(C)(C(O)c2ccoc2)C12OC2C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.78 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 9 |
| MolWt: | 668.69 | Num_heavy_atoms: | 47 |
| TPSA: | 246.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD52949
Formula: C26H34O10
Smiles:
CC1(C)OCC2(C(O)CC(=O)O)C1CC(=O)C1(C)C2CCC(C)(C(O)c2ccoc2)C12OC2C(=O)O| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 506.55 | Num_heavy_atoms: | 36 |
| TPSA: | 167.03 | NumAromaticRings: | 1 |
