Glycoside
GD036510
Name:
9-[(furan-3-yl)({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-5,5,7a,9,11b-pentamethyl-3,7-dioxo-5,5a,6,7,7a,9,10,11,11a,11b-decahydro-3H-spiro[naphtho[2,1-c]oxepine-8,2'-oxirane]-3'-carboxylic acidFormula:
C32H42O13Smiles:
CC1(C)OC(=O)C=C[C@@]2(C)[C@@H]3CC[C@](C)([C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c4ccoc4)[C@]4(O[C@H]4C(=O)O)[C@]3(C)C(=O)C[C@@H]12Aglycone:
CC1(C)OC(=O)C=CC2(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: | 5 | FractionCSP3: | 0.72 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 634.68 | Num_heavy_atoms: | 45 |
| TPSA: | 205.72 | NumAromaticRings: | 1 |
Unique Aglycone
AD23016
Formula: C26H32O8
Smiles:
CC1(C)OC(=O)C=CC2(C)C1CC(=O)C1(C)C2CCC(C)(C(O)c2ccoc2)C12OC2C(=O)O| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.65 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 472.53 | Num_heavy_atoms: | 34 |
| TPSA: | 126.57 | NumAromaticRings: | 1 |
