Glycoside
GD151512
Name:
Ce-108Formula:
C37H57O14NSmiles:
CCC1C(=O)OC(C)CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CCCC(=O)CC1O)CC(O)C2C(=O)OAglycone:
CCC1C(=O)OC(C)CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CCCC(=O)CC1O)CC(O)C2C(=O)OSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.7 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 739.86 | Num_heavy_atoms: | 52 |
| TPSA: | 255.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD60417
Formula: C31H46O11
Smiles:
CCC1C(=O)OC(C)CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CCCC(=O)CC1O)CC(O)C2C(=O)O| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 594.7 | Num_heavy_atoms: | 42 |
| TPSA: | 191.05 | NumAromaticRings: | 0 |
