Glycoside
GD146224
Name:
N-(1-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5,6-trihydroxyoctacos-9-en-2-yl)-2-hydroxyoctadecanamideFormula:
C58H111O16NSmiles:
CCCCCCCCCCCCCCCCCCC=CCCC(O)C(O)CC(O)C(COC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O)N=C(O)C(O)CCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCC=CCCC(O)C(O)CC(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.95 |
| AlogP: | 7.65 | Num_rotatable_bonds: | 48 |
| MolWt: | 1078.52 | Num_heavy_atoms: | 75 |
| TPSA: | 292.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD58647
Formula: C46H91O6N
Smiles:
CCCCCCCCCCCCCCCCCCC=CCCC(O)C(O)CC(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCCCC| HBA: | 7 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 12.0 | Num_rotatable_bonds: | 42 |
| MolWt: | 754.23 | Num_heavy_atoms: | 53 |
| TPSA: | 133.74 | NumAromaticRings: | 0 |
