Glycoside
GD122702
Name:
1-(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-6-hydroxy-5-(propan-2-yl)hexan-2-yl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,3b,5,6,7-pentolFormula:
C33H58O11Smiles:
CC(CCC(CO)(OC1OC(CO)C(O)C1O)C(C)C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12OAglycone:
CC(CCC(O)(CO)C(C)C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 9 |
| MolWt: | 630.82 | Num_heavy_atoms: | 44 |
| TPSA: | 200.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD49472
Formula: C28H50O7
Smiles:
CC(CCC(O)(CO)C(C)C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O| HBA: | 7 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 498.7 | Num_heavy_atoms: | 35 |
| TPSA: | 141.61 | NumAromaticRings: | 0 |
