Glycoside
GD145735
Name:
2-[(5-hydroxy-2-{[5-(4-hydroxy-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)-3-methylpent-1-en-3-yl]oxy}-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C38H64O14Smiles:
C=CC(C)(CCC1(C)C(C)CC(O)C2(C)C(C)=CCCC12)OC1OC(C)C(O)C(OC2OC(C)C(O)C(O)C2O)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)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 10 |
| MolWt: | 744.92 | Num_heavy_atoms: | 52 |
| TPSA: | 217.22 | 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 |
