Glycoside
GD138888
Name:
Jbir-91Formula:
C39H51O14NSmiles:
CC1CC(=O)C2(O)C3=C(C=CC2(OC2CC(N(C)C)C(OC4CC(O)C(O)C(C)O4)C(C)O2)C1)C(=O)c1c(ccc(C2CC(O)C(O)C(C)O2)c1O)C3=OAglycone:
CC1CC(=O)C2(O)C3=C(C=CC2(OC2CC(N(C)C)C(O)C(C)O2)C1)C(=O)c1c(ccc(C2CC(O)C(O)C(C)O2)c1O)C3=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 757.83 | Num_heavy_atoms: | 54 |
| TPSA: | 221.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD56036
Formula: C33H41O11N
Smiles:
CC1CC(=O)C2(O)C3=C(C=CC2(OC2CC(N(C)C)C(O)C(C)O2)C1)C(=O)c1c(ccc(C2CC(O)C(O)C(C)O2)c1O)C3=O| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 627.69 | Num_heavy_atoms: | 45 |
| TPSA: | 183.29 | NumAromaticRings: | 1 |
