Glycoside
GD115653
Name:
3-[3a,10-dihydroxy-9a-(hydroxymethyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-oneFormula:
C28H42O10Smiles:
CC1OC(OC2CCC3(CO)C(CCC4C3C(O)CC3C(C5=CCOC5=O)CCC34O)C2)C(O)C(O)C1OAglycone:
O=C1OCC=C1C1CCC2(O)C1CC(O)C1C2CCC2CC(O)CCC21COSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 538.63 | Num_heavy_atoms: | 38 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD45789
Formula: C22H32O6
Smiles:
O=C1OCC=C1C1CCC2(O)C1CC(O)C1C2CCC2CC(O)CCC21CO| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 392.49 | Num_heavy_atoms: | 28 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
