Glycoside
GD151251
Name:
Smtp-33Formula:
C29H41O9NSmiles:
CC(C)=CCCC(C)=CCCC1(C)Oc2c(c(O)cc3c2CN(C2C(O)OC(CO)C(O)C2O)C3=O)CC1OAglycone:
CC(C)=CCCC(C)=CCCC1(C)Oc2c(c(O)cc3c2CNC3=O)CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 547.65 | Num_heavy_atoms: | 39 |
| TPSA: | 160.15 | NumAromaticRings: | 1 |
Unique Aglycone
AD60340
Formula: C23H31O4N
Smiles:
CC(C)=CCCC(C)=CCCC1(C)Oc2c(c(O)cc3c2CNC3=O)CC1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.52 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 385.5 | Num_heavy_atoms: | 28 |
| TPSA: | 78.79 | NumAromaticRings: | 1 |
