Glycoside
GD127920
Name:
6-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-15-(4,5-dihydroxy-5-methylhexyl)-7,7,16-trimethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecane-12-carboxylic acidFormula:
C37H60O11Smiles:
CC(=O)OCC1OC(OC2CCC34CC35CCC3(C)C(CCCC(O)C(C)(C)O)CCC3(C(=O)O)C5CCC4C2(C)C)C(O)C(O)C1OAglycone:
CC(C)(O)C(O)CCCC1CCC2(C(=O)O)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 3.55 | Num_rotatable_bonds: | 10 |
| MolWt: | 680.88 | Num_heavy_atoms: | 48 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD51816
Formula: C29H48O5
Smiles:
CC(C)(O)C(O)CCCC1CCC2(C(=O)O)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 5.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 476.7 | Num_heavy_atoms: | 34 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
