Glycoside
GD153427
Name:
15-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-13-hydroxy-7,7,12,16-tetramethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-14-oneFormula:
C35H56O9Smiles:
CC(CC(O)C1OC1(C)C)C1C(=O)C(O)C2(C)C3CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CCC12CAglycone:
CC(CC(O)C1OC1(C)C)C1C(=O)C(O)C2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 620.82 | Num_heavy_atoms: | 44 |
| TPSA: | 149.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD61018
Formula: C30H48O5
Smiles:
CC(CC(O)C1OC1(C)C)C1C(=O)C(O)C2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 4.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 90.29 | NumAromaticRings: | 0 |
