Glycoside
GD010668
Name:
NoneFormula:
C35H49O9NSmiles:
C[C@@]12CC[C@H](N(OCc3ccccc3)OC3OC[C@H](O)[C@H](O)[C@H]3O)C[C@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12OAglycone:
CC12CCC(N(O)OCc3ccccc3)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 627.78 | Num_heavy_atoms: | 45 |
| TPSA: | 138.15 | NumAromaticRings: | 1 |
Unique Aglycone
AD08209
Formula: C30H41O5N
Smiles:
CC12CCC(N(O)OCc3ccccc3)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 5.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 495.66 | Num_heavy_atoms: | 36 |
| TPSA: | 79.23 | NumAromaticRings: | 1 |
