Glycoside
GD019469
Name:
NoneFormula:
C54H60O8N2Smiles:
COC1[C@H](NC(=O)CC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C=C[C@@H]2[C@@H]3Cc4ccc(O)cc4[C@@]12CCN3CAglycone:
COC1C(NC(C)=O)C=CC2C3Cc4ccc(O)cc4C21CCN3C.COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 9 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 7.71 | Num_rotatable_bonds: | 17 |
| MolWt: | 865.08 | Num_heavy_atoms: | 64 |
| TPSA: | 107.95 | NumAromaticRings: | 5 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD13360
Formula: C20H26O3N2
Smiles:
COC1C(NC(C)=O)C=CC2C3Cc4ccc(O)cc4C21CCN3C| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 342.44 | Num_heavy_atoms: | 25 |
| TPSA: | 61.8 | NumAromaticRings: | 1 |
