Glycoside
GD120805
Name:
1-{5-[({4-hydroxy-3-[(4-hydroxy-3,5-dimethoxyoxan-2-yl)oxy]-5-(hydroxymethyl)oxolan-2-yl}oxy)methyl]-6-methylheptan-2-yl}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-2,3,3b,5,6,7-hexolFormula:
C40H70O15Smiles:
COC1COC(OC2C(OCC(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(CO)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: | -0.08 | Num_rotatable_bonds: | 13 |
| MolWt: | 790.99 | Num_heavy_atoms: | 55 |
| TPSA: | 237.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD48572
Formula: C28H50O7
Smiles:
CC(C)C(CO)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: | 1.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 498.7 | Num_heavy_atoms: | 35 |
| TPSA: | 141.61 | NumAromaticRings: | 0 |
