Glycoside
GD137562
Name:
2-{[1-(2-hydroxy-6-methylhepta-4,6-dien-2-yl)-3a,3b,6,6,9a-pentamethyl-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-11-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C41H68O11Smiles:
C=C(C)C=CCC(C)(O)C1CCC2(C)C1C(OC1OC(C)C(O)C(O)C1O)CC1C3(C)CCC(OC4OCC(O)C(O)C4O)C(C)(C)C3CCC12CAglycone:
C=C(C)C=CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 3.59 | Num_rotatable_bonds: | 8 |
| MolWt: | 736.98 | Num_heavy_atoms: | 52 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD55570
Formula: C30H50O3
Smiles:
C=C(C)C=CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
