Glycoside
GD138528
Name:
1-[5-({5-hydroxy-4-methoxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6-methylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,3b,4,5,7-pentolFormula:
C38H66O14Smiles:
COC1C(O)COC(OC(CCC(C)C2CC(O)C3C2(C)CCC2C4(C)CCC(O)CC4C(O)C(O)C23O)C(C)C)C1OC1OCC(O)C(O)C1OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)C(O)C12OSugarmoiety:
COC1C(O)COC(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 10 |
| MolWt: | 746.93 | Num_heavy_atoms: | 52 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD02072
Formula: C27H48O6
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)C(O)C12O| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.68 | Num_heavy_atoms: | 33 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
