Glycoside
GD146310
Name:
2-[(furan-3-yl)({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-5-(1-hydroxy-3-methoxy-3-oxopropyl)-6-(2-hydroxypropan-2-yl)-2,5,8a-trimethyl-8-oxo-octahydro-2H-spiro[naphthalene-1,2'-oxirane]-3'-carboxylic acidFormula:
C33H48O15Smiles:
COC(=O)CC(O)C1(C)C(C(C)(C)O)CC(=O)C2(C)C1CCC(C)(C(OC1OC(CO)C(O)C(O)C1O)c1ccoc1)C21OC1C(=O)OAglycone:
COC(=O)CC(O)C1(C)C(C(C)(C)O)CC(=O)C2(C)C1CCC(C)(C(O)c1ccoc1)C21OC1C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.79 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 10 |
| MolWt: | 684.73 | Num_heavy_atoms: | 48 |
| TPSA: | 246.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD58683
Formula: C27H38O10
Smiles:
COC(=O)CC(O)C1(C)C(C(C)(C)O)CC(=O)C2(C)C1CCC(C)(C(O)c1ccoc1)C21OC1C(=O)O| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 522.59 | Num_heavy_atoms: | 37 |
| TPSA: | 167.03 | NumAromaticRings: | 1 |
