Glycoside
GD019101
Name:
NoneFormula:
C39H56O11N2Smiles:
CC(=O)O[C@@H]1[C@H](OCC2=C[C@@H]3[C@H](C[C@H](OC(=O)C=Cc4cn(C)cn4)[C@]4(C)C=C[C@@]2(OCC(C)(C)CO)O4)C(C)=CC[C@H]3C(C)C)OC[C@H](O)[C@H]1OAglycone:
CC1=CCC(C(C)C)C2C=C(CO)C3(OCC(C)(C)CO)C=CC(C)(O3)C(OC(=O)C=Cc3cn(C)cn3)CC12Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 12 |
| MolWt: | 728.88 | Num_heavy_atoms: | 52 |
| TPSA: | 168.03 | NumAromaticRings: | 1 |
Unique Aglycone
AD13380
Formula: C32H46O6N2
Smiles:
CC1=CCC(C(C)C)C2C=C(CO)C3(OCC(C)(C)CO)C=CC(C)(O3)C(OC(=O)C=Cc3cn(C)cn3)CC12| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 4.6 | Num_rotatable_bonds: | 9 |
| MolWt: | 554.73 | Num_heavy_atoms: | 40 |
| TPSA: | 103.04 | NumAromaticRings: | 1 |
