Glycoside
GD120717
Name:
1-{5-[2-({5-[(3,5-dihydroxy-4-methoxyoxan-2-yl)oxy]-3-hydroxy-4-methoxyoxan-2-yl}oxy)ethyl]-6-methylheptan-2-yl}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-2,3,3b,5,6,7-hexolFormula:
C41H72O15Smiles:
COC1C(O)COC(OC2COC(OCCC(CCC(C)C3C(O)C(O)C4C3(C)CCC3C5(C)CCC(O)C(O)C5C(O)CC34O)C(C)C)C(O)C2OC)C1OAglycone:
CC(C)C(CCO)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12OSugarmoiety:
COC1C(O)COC(OC2COC(O)C(O)C2OC)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 13 |
| MolWt: | 805.01 | Num_heavy_atoms: | 56 |
| TPSA: | 237.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD00819
Formula: C29H52O7
Smiles:
CC(C)C(CCO)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: | 2.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 512.73 | Num_heavy_atoms: | 36 |
| TPSA: | 141.61 | NumAromaticRings: | 0 |
