Glycoside
GD125511
Name:
9,14-bis[(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-30-(butan-2-yl)-16,18-dihydroxy-2-oxo-1-oxacyclotriaconta-19,21,23,25,27-pentaene-15-carboxylic acidFormula:
C46H76O14N2Smiles:
CCC(C)C1CC=CC=CC=CC=CC=CC(O)CC(O)C(C(=O)O)C(OC2OC(C)C(O)C(N)C2O)CCCCC(OC2OC(C)C(O)C(N)C2O)CCCCCCC(=O)O1Aglycone:
CCC(C)C1CC=CC=CC=CC=CC=CC(O)CC(O)C(C(=O)O)C(O)CCCCC(O)CCCCCCC(=O)O1Sugarmoiety:
CC1OC(O)C(O)C(N)C1O.CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.74 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 7 |
| MolWt: | 881.11 | Num_heavy_atoms: | 62 |
| TPSA: | 273.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD50762
Formula: C34H54O8
Smiles:
CCC(C)C1CC=CC=CC=CC=CC=CC(O)CC(O)C(C(=O)O)C(O)CCCCC(O)CCCCCCC(=O)O1| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | 5.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 590.8 | Num_heavy_atoms: | 42 |
| TPSA: | 144.52 | NumAromaticRings: | 0 |
