Glycoside
GD126858
Name:
CandidinFormula:
C47H71O17NSmiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)C(O)CCC(=O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)OAglycone:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C(O)CCC(=O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)OSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.64 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 922.08 | Num_heavy_atoms: | 65 |
| TPSA: | 316.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD51350
Formula: C41H60O14
Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C(O)CCC(=O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O| HBA: | 14 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.59 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 776.92 | Num_heavy_atoms: | 55 |
| TPSA: | 251.74 | NumAromaticRings: | 0 |
