Glycoside
GD132716
Name:
6-{13,17-dihydroxy-7,7,12,16-tetramethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-15-yl}-2-methylhept-2-enoic acidFormula:
C35H56O9Smiles:
CC(=CCCC(C)C1CC(O)C2(C)C3CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CC(O)C12C)C(=O)OAglycone:
CC(=CCCC(C)C1CC(O)C2(C)C3CCC4C(C)(C)C(O)CCC45CC35CC(O)C12C)C(=O)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 3.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 620.82 | Num_heavy_atoms: | 44 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD53730
Formula: C30H48O5
Smiles:
CC(=CCCC(C)C1CC(O)C2(C)C3CCC4C(C)(C)C(O)CCC45CC35CC(O)C12C)C(=O)O| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 5.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
