Glycoside
GD153181
Name:
2-({4-[3-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3-methylpent-4-en-1-yl]-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C38H64O15Smiles:
C=CC(C)(CCC1(C)C(C)CC(OC2OC(CO)C(O)C(O)C2O)C2(C)C(C)=CCCC12)OC1OC(C)C(O)C(O)C1OC1OC(C)C(O)C(O)C1OAglycone:
C=CC(C)(O)CCC1(C)C(C)CC(O)C2(C)C(C)=CCCC12Sugarmoiety:
CC1OC(OC2C(O)OC(C)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.89 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 11 |
| MolWt: | 760.92 | Num_heavy_atoms: | 53 |
| TPSA: | 237.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD12492
Formula: C20H34O2
Smiles:
C=CC(C)(O)CCC1(C)C(C)CC(O)C2(C)C(C)=CCCC12| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 306.49 | Num_heavy_atoms: | 22 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
