Glycoside
GD140526
Name:
1-[5-({3-[(3,4-dihydroxy-5-methoxyoxan-2-yl)oxy]-5-hydroxy-4-methoxyoxan-2-yl}oxy)-6-methylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,3b,5,7-tetrolFormula:
C39H68O13Smiles:
COC1COC(OC2C(OC(CCC(C)C3CC(O)C4C3(C)CCC3C5(C)CCC(O)CC5C(O)CC34O)C(C)C)OCC(O)C2OC)C(O)C1OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12OSugarmoiety:
COC1COC(OC2C(O)OCC(O)C2OC)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 11 |
| MolWt: | 744.96 | Num_heavy_atoms: | 52 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD04465
Formula: C27H48O5
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.68 | Num_heavy_atoms: | 32 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
