Glycoside
GD129578
Name:
8-(22,25-dihydroxy-21,40-dimethyl-3-oxo-26-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,11,15,35,39-pentaoxapentacyclo[32.2.2.1¹²,¹â¶.1²â°,²â´.0¹â°,¹â´]tetraconta-4,6,8,17,27,31,37-heptaen-36-yl)-6-methylnon-7-enoic acidFormula:
C53H76O16Smiles:
CC(=CC(C)CCCCC(=O)O)C1OC2C=CC1OC(=O)C=CC=CC=CC1OC3CC1OC(C=CCC1OC(CC(O)C1C)C(O)C(OC1OC(CO)C(O)C(O)C1O)C=CCCC=CC2)C3CAglycone:
CC(=CC(C)CCCCC(=O)O)C1OC2C=CC1OC(=O)C=CC=CC=CC1OC3CC1OC(C=CCC1OC(CC(O)C1C)C(O)C(O)C=CCCC=CC2)C3CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.66 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 10 |
| MolWt: | 969.18 | Num_heavy_atoms: | 69 |
| TPSA: | 240.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD52492
Formula: C47H66O11
Smiles:
CC(=CC(C)CCCCC(=O)O)C1OC2C=CC1OC(=O)C=CC=CC=CC1OC3CC1OC(C=CCC1OC(CC(O)C1C)C(O)C(O)C=CCCC=CC2)C3C| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 6.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 807.03 | Num_heavy_atoms: | 58 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
