Glycoside
GD154053
Name:
3-formyl-14-hydroxy-10-(hydroxymethyl)-3,6b,10,12a,12b,14a-hexamethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]-icosahydro-1H-piceno[13,12b-b]oxiren-2-yl benzoateFormula:
C42H60O11Smiles:
CC1(C=O)CC2C(C)(CC1OC(=O)c1ccccc1)C(O)CC1(C)C3(C)CCC4C(C)(CO)C(OC5OCC(O)C(O)C5O)CCC4(C)C3CC3OC321Aglycone:
CC1(C=O)CC2C(C)(CC1OC(=O)c1ccccc1)C(O)CC1(C)C3(C)CCC4C(C)(CO)C(O)CCC4(C)C3CC3OC321Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 6 |
| MolWt: | 740.93 | Num_heavy_atoms: | 53 |
| TPSA: | 175.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD60440
Formula: C37H52O7
Smiles:
CC1(C=O)CC2C(C)(CC1OC(=O)c1ccccc1)C(O)CC1(C)C3(C)CCC4C(C)(CO)C(O)CCC4(C)C3CC3OC321| HBA: | 7 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 5.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 608.82 | Num_heavy_atoms: | 44 |
| TPSA: | 116.59 | NumAromaticRings: | 1 |
