Glycoside
GD156124
Name:
2-({5-hydroxy-2-[(12-hydroxy-4,4,6a,6b,9,10,11,12,14b-nonamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,14a,14b-octadecahydropicen-3-yl)oxy]-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C48H78O15Smiles:
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4C=CC4=C6C(CCC45C)C(C)C(C)C(C)C6(C)O)C3(C)C)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1C2CCC3(C)C(=C2C(C)(O)C(C)C1C)C=CC1C2(C)CCC(O)C(C)(C)C2CCC13CSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 895.14 | Num_heavy_atoms: | 63 |
| TPSA: | 237.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD52375
Formula: C31H50O2
Smiles:
CC1C2CCC3(C)C(=C2C(C)(O)C(C)C1C)C=CC1C2(C)CCC(O)C(C)(C)C2CCC13C| HBA: | 2 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 7.16 | Num_rotatable_bonds: | 0 |
| MolWt: | 454.74 | Num_heavy_atoms: | 33 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
