Glycoside
GD139131
Name:
1-[5-({4-[(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl}oxy)-6-methylheptan-2-yl]-3b,5,6,7-tetrahydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetateFormula:
C40H68O15Smiles:
COC1C(OC2C(CO)OC(OC(CCC(C)C3CC(OC(C)=O)C4C3(C)CCC3C5(C)CCC(O)C(O)C5C(O)CC34O)C(C)C)C2O)OCC(O)C1OAglycone:
CC(=O)OC1CC(C(C)CCC(O)C(C)C)C2(C)CCC3C4(C)CCC(O)C(O)C4C(O)CC3(O)C12Sugarmoiety:
COC1C(OC2C(CO)OC(O)C2O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.97 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 12 |
| MolWt: | 788.97 | Num_heavy_atoms: | 55 |
| TPSA: | 234.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD55586
Formula: C29H50O7
Smiles:
CC(=O)OC1CC(C(C)CCC(O)C(C)C)C2(C)CCC3C4(C)CCC(O)C(O)C4C(O)CC3(O)C12| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 510.71 | Num_heavy_atoms: | 36 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
