Glycoside
GD154219
Name:
3-methyl-14,16-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecine-1,7-dioneFormula:
C30H42O15Smiles:
CC1CCCC(=O)CCCC=Cc2cc(OC3OC(CO)C(O)C(O)C3O)cc(OC3OC(CO)C(O)C(O)C3O)c2C(=O)O1Aglycone:
CC1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 642.65 | Num_heavy_atoms: | 45 |
| TPSA: | 242.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD09839
Formula: C18H22O5
Smiles:
CC1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 318.37 | Num_heavy_atoms: | 23 |
| TPSA: | 83.83 | NumAromaticRings: | 1 |
