Glycoside
GD127048
Name:
2-[(2,3,10-trihydroxy-4,4,6a,6b,8a,9,9,12a,14b-nonamethyl-docosahydropicen-5-yl)oxy]oxane-3,4,5-triolFormula:
C36H62O8Smiles:
CC1(C)C(O)C(O)CC2(C)C1C(OC1OCC(O)C(O)C1O)CC1(C)C2CCC2C1(C)CCC1(C)C(C)(C)C(O)CCC21CAglycone:
CC1(C)C(O)C(O)CC2(C)C1C(O)CC1(C)C2CCC2C1(C)CCC1(C)C(C)(C)C(O)CCC21CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 622.88 | Num_heavy_atoms: | 44 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD45906
Formula: C31H54O4
Smiles:
CC1(C)C(O)C(O)CC2(C)C1C(O)CC1(C)C2CCC2C1(C)CCC1(C)C(C)(C)C(O)CCC21C| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 0 |
| MolWt: | 490.77 | Num_heavy_atoms: | 35 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
