Glycoside
GD115848
Name:
2-({3,10-dihydroxy-4,4,6a,6b,8a,9,9,12a,14b-nonamethyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]-docosahydropicen-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H72O13Smiles:
CC1(C)C(O)C(OC2OC(CO)C(O)C(O)C2O)CC2(C)C1C(OC1OCC(O)C(O)C1O)CC1(C)C2CCC2C1(C)CCC1(C)C(C)(C)C(O)CCC21CAglycone:
CC1(C)C(O)C(O)CC2(C)C1C(O)CC1(C)C2CCC2C1(C)CCC1(C)C(C)(C)C(O)CCC21CSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 785.02 | Num_heavy_atoms: | 55 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD45906
Formula: C31H54O4
Smiles:
CC1(C)C(O)C(O)CC2(C)C1C(O)CC1(C)C2CCC2C1(C)CCC1(C)C(C)(C)C(O)CCC21C| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 0 |
| MolWt: | 490.77 | Num_heavy_atoms: | 35 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
