Glycoside
GD148664
Name:
Jbir-92Formula:
C47H55O16NSmiles:
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(O)c(C2CC(O)C(O)C(C)O2)cc2c(-c4ccc(O)cc4)c(=O)oc3c12Aglycone:
CC1CC(=O)C2(O)C3=C(C=CC2(OC2CC(N(C)C)C(O)C(C)O2)C1)C(=O)c1c(O)c(C2CC(O)C(O)C(C)O2)cc2c(-c4ccc(O)cc4)c(=O)oc3c12Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 889.95 | Num_heavy_atoms: | 64 |
| TPSA: | 255.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD59482
Formula: C41H45O13N
Smiles:
CC1CC(=O)C2(O)C3=C(C=CC2(OC2CC(N(C)C)C(O)C(C)O2)C1)C(=O)c1c(O)c(C2CC(O)C(O)C(C)O2)cc2c(-c4ccc(O)cc4)c(=O)oc3c12| HBA: | 14 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.49 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 759.81 | Num_heavy_atoms: | 55 |
| TPSA: | 216.66 | NumAromaticRings: | 3 |
