Glycoside
GD153910
Name:
6-[(6,8a-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-2,8-dioxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acidFormula:
C41H62O15Smiles:
CC1OC(OC2C(OC3C(=O)CC4(C)C(CC(O)C5(C)C4CC=C4C6CC(C)(C)CCC6(O)C(=O)CC45C)C3(C)C)OC(C(=O)O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(C)CCC2(O)C(=O)CC3(C)C(=CCC4C5(C)CC(=O)C(O)C(C)(C)C5CC(O)C43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 794.93 | Num_heavy_atoms: | 56 |
| TPSA: | 249.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD61175
Formula: C29H44O5
Smiles:
CC1(C)CCC2(O)C(=O)CC3(C)C(=CCC4C5(C)CC(=O)C(O)C(C)(C)C5CC(O)C43C)C2C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 4.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 472.67 | Num_heavy_atoms: | 34 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
