Glycoside
GD114801
Name:
a447 dFormula:
C60H86O21N2Smiles:
CCC1(O)CC(OC2CC(N(C)C)C(OC3CC(O)C(OC4CCC(O)C(C)O4)C(C)O3)C(C)O2)c2c(O)c3c(c(O)c2C1OC1CC(N(C)C)C(OC2CCC(OC4CCC(=O)C(C)O4)C(C)O2)C(C)O1)C(=O)c1cccc(O)c1C3=OAglycone:
CC1OC(O)CCC1O.CCC1(O)CC(OC2CC(N(C)C)C(O)C(C)O2)c2c(O)c3c(c(O)c2C1OC1CC(N(C)C)C(OC2CCC(OC4CCC(=O)C(C)O4)C(C)O2)C(C)O1)C(=O)c1cccc(O)c1C3=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 10 |
| HBD: | 6 | FractionCSP3: | 0.75 |
| AlogP: | 4.91 | Num_rotatable_bonds: | 15 |
| MolWt: | 1171.34 | Num_heavy_atoms: | 83 |
| TPSA: | 289.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD00171
Formula: C6H12O3
Smiles:
CC1OC(O)CCC1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
AD45292
Formula: C48H66O16N2
Smiles:
CCC1(O)CC(OC2CC(N(C)C)C(O)C(C)O2)c2c(O)c3c(c(O)c2C1OC1CC(N(C)C)C(OC2CCC(OC4CCC(=O)C(C)O4)C(C)O2)C(C)O1)C(=O)c1cccc(O)c1C3=O| HBA: | 18 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 11 |
| MolWt: | 927.05 | Num_heavy_atoms: | 66 |
| TPSA: | 232.68 | NumAromaticRings: | 2 |
