Glycoside
GD143012
Name:
1-[5-({4-[(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl}oxy)-6-methylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,3b,5,6,7-pentolFormula:
C38H66O14Smiles:
COC1C(OC2C(CO)OC(OC(CCC(C)C3CC(O)C4C3(C)CCC3C5(C)CCC(O)C(O)C5C(O)CC34O)C(C)C)C2O)OCC(O)C1OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12OSugarmoiety:
COC1C(OC2C(CO)OC(O)C2O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 11 |
| MolWt: | 746.93 | Num_heavy_atoms: | 52 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD04482
Formula: C27H48O6
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O| 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 |
