Glycoside
GD015254
Name:
NoneFormula:
C49H81O18N3Smiles:
CCOC(=O)C=CC[C@@H]1C[C@H](C)C(=O)C=CC(C)=C[C@H](COC2OC(C)C(O)C(OC)C2OC)[C@H](CC)OC(=O)C[C@H](NN(C(=O)OCC)C(=O)OCC)[C@H](C)[C@H]1OC1OC(C)C(O)C(N(C)C)C1OAglycone:
CCOC(=O)C=CCC1CC(C)C(=O)C=CC(C)=CC(CO)C(CC)OC(=O)CC(NN(C(=O)OCC)C(=O)OCC)C(C)C1OSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 17 |
| MolWt: | 1000.19 | Num_heavy_atoms: | 70 |
| TPSA: | 256.85 | NumAromaticRings: | 0 |
Unique Aglycone
AD11106
Formula: C33H52O11N2
Smiles:
CCOC(=O)C=CCC1CC(C)C(=O)C=CC(C)=CC(CO)C(CC)OC(=O)CC(NN(C(=O)OCC)C(=O)OCC)C(C)C1O| HBA: | 13 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 4.03 | Num_rotatable_bonds: | 10 |
| MolWt: | 652.78 | Num_heavy_atoms: | 46 |
| TPSA: | 178.0 | NumAromaticRings: | 0 |
