Glycoside
GD130341
Name:
2-{[5-(6-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)-3-methylpent-1-en-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C38H64O15Smiles:
C=CC(C)(CCC1C(=C)CCC2C(C)(C)C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)CCC12C)OC1OC(C)C(O)C(O)C1OAglycone:
C=CC(C)(O)CCC1C(=C)CCC2C(C)(C)C(O)CCC12CSugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)OC(CO)C(O)C2O)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
AD48621
Formula: C20H34O2
Smiles:
C=CC(C)(O)CCC1C(=C)CCC2C(C)(C)C(O)CCC12C| 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 |
