Glycoside
GD153620
Name:
sip-b1Formula:
C44H66O9N2Smiles:
CCC(C)CC1=CC(C)=CC=CC=CC(C)(O)C(OC2OCC(OC3COC(C)C(O)C3O)C(O)C2N)C=CC=CC(C)=CC=CC(C)=CC(C)CN=C1OAglycone:
CCC(C)CC1=CC(C)=CC=CC=CC(C)(O)C(O)C=CC=CC(C)=CC=CC(C)=CC(C)CN=C1OSugarmoiety:
CC1OCC(OC2COC(O)C(N)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | 5.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 767.02 | Num_heavy_atoms: | 55 |
| TPSA: | 176.45 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
