Glycoside
GD077578
Name:
3,4,5-trihydroxy-6-methyloxan-2-yl 8-hydroxy-2,10,10-trimethyltricyclo[6.3.0.0¹,âµ]undec-6-ene-6-carboxylateFormula:
C21H32O7Smiles:
C[C@@H]1O[C@H](OC(=O)C2=C[C@]3(O)CC(C)(C)C[C@@]34[C@@H]2CC[C@H]4C)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1CCC2C(C(=O)O)=CC3(O)CC(C)(C)CC123Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 396.48 | Num_heavy_atoms: | 28 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD35506
Formula: C15H22O3
Smiles:
CC1CCC2C(C(=O)O)=CC3(O)CC(C)(C)CC123| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 250.34 | Num_heavy_atoms: | 18 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
