Glycoside
GD148290
Name:
1-{5,6-dimethyl-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]hept-3-en-2-yl}-9a,11a-dimethyl-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthrene-2,3,3b,5-tetrolFormula:
C38H64O14Smiles:
CC(C=CC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(OC4OCC(O)C(O)C4O)CC3C(O)CC12O)C(C)COC1OCC(O)C(O)C1OAglycone:
CC(C=CC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)C(C)COSugarmoiety:
OC1COC(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 9 |
| MolWt: | 744.92 | Num_heavy_atoms: | 52 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD59350
Formula: C28H48O6
Smiles:
CC(C=CC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)C(C)CO| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 480.69 | Num_heavy_atoms: | 34 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
