Glycoside
GD145438
Name:
2-({2-[9-({3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4,7-dihydroxy-5a,5b,8,8,11a,13b-hexamethyl-icosahydro-1H-cyclopenta[a]chrysen-3-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C47H80O17Smiles:
CC1OC(OC2COC(OC3CCC4(C)C(C(O)CC5(C)C4CCC4C6(C)CCC(C(C)(C)OC7OC(CO)C(O)C(O)C7O)C6C(O)CC45C)C3(C)C)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C)(O)C1CCC2(C)C1C(O)CC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3C(O)CC21CSugarmoiety:
CC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 917.14 | Num_heavy_atoms: | 64 |
| TPSA: | 277.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD45741
Formula: C30H52O4
Smiles:
CC(C)(O)C1CCC2(C)C1C(O)CC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3C(O)CC21C| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 5.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 476.74 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
