Glycoside
GD157510
Name:
11-(benzyloxy)-2,9-bis(hydroxymethyl)-13-(3-hydroxypropyl)-2,6a,6b,9,12a-pentamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acidFormula:
C45H68O11Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CC(CCCO)C4C5(C)CC(OCc6ccccc6)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1Aglycone:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CC(CCCO)C4C5(C)CC(OCc6ccccc6)C(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.8 |
| AlogP: | 4.84 | Num_rotatable_bonds: | 11 |
| MolWt: | 785.03 | Num_heavy_atoms: | 56 |
| TPSA: | 186.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD62262
Formula: C40H60O7
Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CC(CCCO)C4C5(C)CC(OCc6ccccc6)C(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 7 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | 6.37 | Num_rotatable_bonds: | 9 |
| MolWt: | 652.91 | Num_heavy_atoms: | 47 |
| TPSA: | 127.45 | NumAromaticRings: | 1 |
