Glycoside
GD127688
Name:
sip-b3Formula:
C46H71O7N3Smiles:
CCC(C)CC1=CC(C)=CC=CC=CC(C)(O)C(OC2OCC(OC3CC(N(C)C)CC(C)O3)C(O)C2N)C=CC=CC(C)=CC=CC(C)=CC(C)CN=C1OAglycone:
CC1CC(N(C)C)CC(O)O1.CCC(C)CC1=CC(C)=CC=CC=CC(C)(O)C(O)C=CC=CC(C)=CC=CC(C)=CC(C)CN=C1OSugarmoiety:
NC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | 7.6 | Num_rotatable_bonds: | 8 |
| MolWt: | 778.09 | Num_heavy_atoms: | 56 |
| TPSA: | 139.23 | NumAromaticRings: | 0 |
Unique Aglycone
AD51710
Formula: C8H17O2N
Smiles:
CC1CC(N(C)C)CC(O)O1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 159.23 | Num_heavy_atoms: | 11 |
| TPSA: | 32.7 | NumAromaticRings: | 0 |
AD51711
Formula: C33H47O3N
Smiles:
CCC(C)CC1=CC(C)=CC=CC=CC(C)(O)C(O)C=CC=CC(C)=CC=CC(C)=CC(C)CN=C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 7.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 505.74 | Num_heavy_atoms: | 37 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
