Glycoside
GD145955
Name:
3,4,5-trihydroxyoxan-2-yl 2-{2,5,5,5',8a-pentamethyl-4a,5,6,7,8,8a-hexahydro-4H-spiro[naphthalene-1,2'-oxolan]-5'-yl}acetateFormula:
C25H40O7Smiles:
CC1=CCC2C(C)(C)CCCC2(C)C12CCC(C)(CC(=O)OC1OCC(O)C(O)C1O)O2Aglycone:
CC1=CCC2C(C)(C)CCCC2(C)C12CCC(C)(CC(=O)O)O2Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 452.59 | Num_heavy_atoms: | 32 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD58558
Formula: C20H32O3
Smiles:
CC1=CCC2C(C)(C)CCCC2(C)C12CCC(C)(CC(=O)O)O2| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 4.95 | Num_rotatable_bonds: | 2 |
| MolWt: | 320.47 | Num_heavy_atoms: | 23 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
