Glycoside
GD155134
Name:
4,9,13-trimethyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6,14-dioxatetracyclo[8.4.0.0¹,¹³.0³,â·]tetradecan-5-oneFormula:
C21H32O9Smiles:
CC1CC2OC(=O)C(C)C2CC23OC2(C)C(OC2OC(CO)C(O)C(O)C2O)CC13Aglycone:
CC1CC2OC(=O)C(C)C2CC23OC2(C)C(O)CC13Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 428.48 | Num_heavy_atoms: | 30 |
| TPSA: | 138.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD61551
Formula: C15H22O4
Smiles:
CC1CC2OC(=O)C(C)C2CC23OC2(C)C(O)CC13| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 266.34 | Num_heavy_atoms: | 19 |
| TPSA: | 59.06 | NumAromaticRings: | 0 |
