Glycoside
GD149312
Name:
4,5-dihydroxy-6-[(3,8,10-trihydroxy-4,4,6a,6b,9,9,12a-heptamethyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-docosahydropicen-5-yl)oxy]oxan-3-yl acetateFormula:
C42H70O15Smiles:
CC(=O)OC1COC(OC2CC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5C(O)CC43C)C3CC(OC4OC(CO)C(O)C(O)C4O)C(O)C(C)(C)C23)C(O)C1OAglycone:
CC1(C)C(O)C(O)CC2C1C(O)CC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3C(O)CC21CSugarmoiety:
CC(=O)OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.98 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 815.01 | Num_heavy_atoms: | 57 |
| TPSA: | 245.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD46745
Formula: C29H50O5
Smiles:
CC1(C)C(O)C(O)CC2C1C(O)CC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3C(O)CC21C| HBA: | 5 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 478.71 | Num_heavy_atoms: | 34 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
