Glycoside
GD139336
Name:
NoneFormula:
C73H127O23NSmiles:
C=CC=CCCCCCCCCCCC=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)CC(O)C=CCC(O)CCCC(O)CC(=O)CC(O)CCC=CCC(O)C=CC=CCN)C(O)C(O)C2O)CC(O)C1OAglycone:
C=CC=CCCCCCCCCCCC=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)CC(O)C=CCC(O)CCCC(O)CC(=O)CC(O)CCC=CCC(O)C=CC=CCNSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 2 |
| HBD: | 22 | FractionCSP3: | 0.77 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 54 |
| MolWt: | 1386.8 | Num_heavy_atoms: | 97 |
| TPSA: | 466.15 | NumAromaticRings: | 0 |
Unique Aglycone
AD19007
Formula: C30H52O8
Smiles:
C=CC=CCCCCCCCCCCC=CC(O)C(O)C1OC(C(O)C(O)C(=C)CCCO)CC(O)C1O| HBA: | 8 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 21 |
| MolWt: | 540.74 | Num_heavy_atoms: | 38 |
| TPSA: | 150.84 | NumAromaticRings: | 0 |
AD56184
Formula: C38H69O11N
Smiles:
CC(O)C(O)C(C)CCCC(O)C(O)C(O)C(C)CC(O)C=CCC(O)CCCC(O)CC(=O)CC(O)CCC=CCC(O)C=CC=CCN| HBA: | 12 | RingCount: | 0 |
| HBD: | 12 | FractionCSP3: | 0.76 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 30 |
| MolWt: | 715.97 | Num_heavy_atoms: | 50 |
| TPSA: | 245.39 | NumAromaticRings: | 0 |
