Glycoside
GD014395
Name:
ZOOXANTHELLAMIDE DFormula:
C54H83O19NSmiles:
C=CC(=C)CC(=C)C(C)=CCCC=CC=C(C)C[C@@H]1O[C@H](C(O)C(O)C(O)C(C)=CC=CCNC(=O)C=CC=CC(O)CC(O)C(O)C[C@@H]2O[C@H]([C@@H]3C[C@H](O)[C@H](O)[C@](C)(CO)O3)[C@H](O)C(O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
C=CC(=C)CC(=C)C(C)=CCCC=CC=C(C)C.CC(=CC=CCNC(=O)C=CC=CC(O)CC(O)C(C)O)C(O)C(O)CO.CC1(CO)OCCC(O)C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 16 | FractionCSP3: | 0.61 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 27 |
| MolWt: | 1050.25 | Num_heavy_atoms: | 74 |
| TPSA: | 360.24 | NumAromaticRings: | 0 |
Unique Aglycone
AD10587
Formula: C18H26
Smiles:
C=CC(=C)CC(=C)C(C)=CCCC=CC=C(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 5.92 | Num_rotatable_bonds: | 8 |
| MolWt: | 242.41 | Num_heavy_atoms: | 18 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD10588
Formula: C19H31O7N
Smiles:
CC(=CC=CCNC(=O)C=CC=CC(O)CC(O)C(C)O)C(O)C(O)CO| HBA: | 8 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 12 |
| MolWt: | 385.46 | Num_heavy_atoms: | 27 |
| TPSA: | 150.48 | NumAromaticRings: | 0 |
AD10589
Formula: C7H14O4
Smiles:
CC1(CO)OCCC(O)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
