Glycoside
GD145542
Name:
NoneFormula:
C67H124O24Smiles:
C=CC=CCCCCCCCCC=CC(O)C(O)C1OC(C(O)C(O)C(=C)CCC(O)C2OC(CC(O)C(O)C(C)CCCC(O)C(O)C(O)C(C)CCC(O)C(O)C(C)CC(O)CCCC(O)CCCC(O)CCCC(O)CO)C(O)C(O)C2O)CC(O)C1OAglycone:
C=CC=CCCCCCCCCC=CC(O)C(O)C1OC(C(O)C(O)C(=C)CCCO)CC(O)C1O.CC(O)C(O)C(C)CCCC(O)C(O)C(O)C(C)CCC(O)C(O)C(C)CC(O)CCCC(O)CCCC(O)CCCC(O)COSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 2 |
| HBD: | 22 | FractionCSP3: | 0.88 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 51 |
| MolWt: | 1313.71 | Num_heavy_atoms: | 91 |
| TPSA: | 463.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD52270
Formula: C34H70O12
Smiles:
CC(O)C(O)C(C)CCCC(O)C(O)C(O)C(C)CCC(O)C(O)C(C)CC(O)CCCC(O)CCCC(O)CCCC(O)CO| HBA: | 12 | RingCount: | 0 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 29 |
| MolWt: | 670.92 | Num_heavy_atoms: | 46 |
| TPSA: | 242.76 | NumAromaticRings: | 0 |
AD58415
Formula: C28H48O8
Smiles:
C=CC=CCCCCCCCCC=CC(O)C(O)C1OC(C(O)C(O)C(=C)CCCO)CC(O)C1O| HBA: | 8 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 19 |
| MolWt: | 512.68 | Num_heavy_atoms: | 36 |
| TPSA: | 150.84 | NumAromaticRings: | 0 |
