Glycoside
GD122248
Name:
3874 H1Formula:
C58H86O18N2Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)CC(O)CCCC(O)CC(O)CC(=O)OC1C(C)CCC(O)CC(=O)c1ccc(N)cc1)CC(O)C2C(=O)OAglycone:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(O)CC(O)CCCC(O)CC(O)CC(=O)OC1C(C)CCC(O)CC(=O)c1ccc(N)cc1)CC(O)C2C(=O)OSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 15 | FractionCSP3: | 0.6 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 10 |
| MolWt: | 1099.32 | Num_heavy_atoms: | 78 |
| TPSA: | 362.7 | NumAromaticRings: | 1 |
Unique Aglycone
AD49243
Formula: C52H75O15N
Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(O)CC(O)CCCC(O)CC(O)CC(=O)OC1C(C)CCC(O)CC(=O)c1ccc(N)cc1)CC(O)C2C(=O)O| HBA: | 16 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.56 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 954.16 | Num_heavy_atoms: | 68 |
| TPSA: | 297.99 | NumAromaticRings: | 1 |
