Glycoside
GD144243
Name:
1-[5-({4-hydroxy-3-[(4-hydroxy-3,5-dimethoxyoxan-2-yl)oxy]-5-(hydroxymethyl)oxolan-2-yl}oxy)-6-methylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-2,3,3b,5,6,7-hexolFormula:
C39H68O15Smiles:
COC1COC(OC2C(OC(CCC(C)C3C(O)C(O)C4C3(C)CCC3C5(C)CCC(O)C(O)C5C(O)CC34O)C(C)C)OC(CO)C2O)C(OC)C1OAglycone:
CC(C)C(O)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12OSugarmoiety:
COC1COC(OC2C(O)OC(CO)C2O)C(OC)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 12 |
| MolWt: | 776.96 | Num_heavy_atoms: | 54 |
| TPSA: | 237.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD57981
Formula: C27H48O7
Smiles:
CC(C)C(O)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O| HBA: | 7 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 484.67 | Num_heavy_atoms: | 34 |
| TPSA: | 141.61 | NumAromaticRings: | 0 |
