Glycoside

GD142400
Name:
7-[(furan-3-yl)({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-1-hydroxy-1,3,3,5a,7,9b-hexamethyl-5-oxo-decahydro-1H-spiro[naphtho[1,2-c]furan-6,2'-oxirane]-3'-carboxylic acidFormula:
C31H44O13Smiles:
CC1(C)OC(C)(O)C2(C)C1CC(=O)C1(C)C2CCC(C)(C(OC2OC(CO)C(O)C(O)C2O)c2ccoc2)C12OC2C(=O)OAglycone:
CC1(C)OC(C)(O)C2(C)C1CC(=O)C1(C)C2CCC(C)(C(O)c2ccoc2)C12OC2C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 6 |
HBD: | 6 | FractionCSP3: | 0.81 |
AlogP: | 0.89 | Num_rotatable_bonds: | 6 |
MolWt: | 624.68 | Num_heavy_atoms: | 44 |
TPSA: | 208.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD57306
Formula: C25H34O8
Smiles:
CC1(C)OC(C)(O)C2(C)C1CC(=O)C1(C)C2CCC(C)(C(O)c2ccoc2)C12OC2C(=O)OHBA: | 8 | RingCount: | 5 |
HBD: | 3 | FractionCSP3: | 0.76 |
AlogP: | 3.07 | Num_rotatable_bonds: | 3 |
MolWt: | 462.54 | Num_heavy_atoms: | 33 |
TPSA: | 129.73 | NumAromaticRings: | 1 |