Glycoside
GD127023
Name:
Ha-2-91Formula:
C39H63O15NSmiles:
CCCCC1CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)CC(O)CC(O)C(C)C(=O)O1)CC(O)C2C(=O)OAglycone:
CCCCC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(O)CC(O)CC(O)C(C)C(=O)O1)CC(O)C2C(=O)OSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.74 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 785.93 | Num_heavy_atoms: | 55 |
| TPSA: | 279.15 | NumAromaticRings: | 0 |
Unique Aglycone
AD51418
Formula: C33H52O12
Smiles:
CCCCC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(O)CC(O)CC(O)C(C)C(=O)O1)CC(O)C2C(=O)O| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.7 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 640.77 | Num_heavy_atoms: | 45 |
| TPSA: | 214.44 | NumAromaticRings: | 0 |
