Glycoside
GD016748
Name:
NoneFormula:
C41H75O12N3Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@H](OC2OC(C)CC(N(C)C)C2O)[C@@](C)(O)C[C@H](C)[C@H](NCCCC#N)[C@H](C)[C@H](O)[C@]1(C)OAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(NCCCC#N)C(C)C(O)C1(C)OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 11 |
| MolWt: | 802.06 | Num_heavy_atoms: | 56 |
| TPSA: | 212.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD12021
Formula: C33H61O9N3
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(NCCCC#N)C(C)C(O)C1(C)O| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 8 |
| MolWt: | 643.86 | Num_heavy_atoms: | 45 |
| TPSA: | 184.97 | NumAromaticRings: | 0 |
