Glycoside
GD132730
Name:
8-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-1,9-dihydroxy-5'-(3-hydroxybutan-2-yl)-4a,4b,7,7,10a-pentamethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11-tetradecahydro-1H-spiro[chrysene-2,3'-oxolan]-2'-oneFormula:
C41H66O14Smiles:
CC(O)C(C)C1CC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2O)C(=O)O1Aglycone:
CC(O)C(C)C1CC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2O)C(=O)O1Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 782.97 | Num_heavy_atoms: | 55 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD53737
Formula: C30H48O6
Smiles:
CC(O)C(C)C1CC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2O)C(=O)O1| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 504.71 | Num_heavy_atoms: | 36 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
