Glycoside
GD115921
Name:
2,3,4,5-tetrahydroxypentyl 5-hydroxy-4a,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-octadecahydropicene-2-carboxylateFormula:
C41H66O14Smiles:
CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC3=C5CC(C)(C(=O)OCC(O)C(O)C(O)CO)CCC5(CO)C(O)CC34C)C2(C)CO)C(O)C(O)C1OAglycone:
CC1(C=O)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC2O)C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.88 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 10 |
| MolWt: | 782.97 | Num_heavy_atoms: | 55 |
| TPSA: | 247.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD45940
Formula: C30H46O5
Smiles:
CC1(C=O)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC2O)C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
