Glycoside
GD118117
Name:
2,6,8,12-tetrahydroxy-3,7,11-trimethyl-4-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-13-oxatetracyclo[5.5.3.0¹,â¸.0²,â¶]pentadec-3-en-14-oneFormula:
C26H40O12Smiles:
CC1=C(C(C)COC2OC(CO)C(O)C(O)C2O)CC2(O)C3(C)CC(=O)OC4(C(O)C(C)CCC34O)C12OAglycone:
CC1=C(C(C)CO)CC2(O)C3(C)CC(=O)OC4(C(O)C(C)CCC34O)C12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | -2.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 544.59 | Num_heavy_atoms: | 38 |
| TPSA: | 206.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD47196
Formula: C20H30O7
Smiles:
CC1=C(C(C)CO)CC2(O)C3(C)CC(=O)OC4(C(O)C(C)CCC34O)C12O| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 382.45 | Num_heavy_atoms: | 27 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
