Glycoside
GD131338
Name:
7-[(5-hydroxy-3,4-dimethoxyoxan-2-yl)oxy]-1-(5-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,3b,5,6-tetrolFormula:
C34H60O10Smiles:
COC1C(O)COC(OC2CCC3(C)C(C(O)CC4(O)C3CCC3(C)C(C(C)CCC(O)C(C)C)CC(O)C34)C2O)C1OCAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12OSugarmoiety:
COC1C(O)COC(O)C1OCOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 9 |
| MolWt: | 628.84 | Num_heavy_atoms: | 44 |
| TPSA: | 158.3 | 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 |
