Glycoside
GD154010
Name:
Jbir-92Formula:
C47H55O16NSmiles:
CC1CC(=O)C2(O)c3c(c(O)c4c5c(c(-c6ccc(O)cc6)c(=O)oc35)C=C(C3CC(O)C(O)C(C)O3)C4=O)C=CC2(OC2CC(N(C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)C1Aglycone:
CC1CC(=O)C2(O)c3c(c(O)c4c5c(c(-c6ccc(O)cc6)c(=O)oc35)C=C(C3CC(O)C(O)C(C)O3)C4=O)C=CC2(OC2CC(N(C)C)C(O)C(C)O2)C1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 889.95 | Num_heavy_atoms: | 64 |
| TPSA: | 255.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD61208
Formula: C41H45O13N
Smiles:
CC1CC(=O)C2(O)c3c(c(O)c4c5c(c(-c6ccc(O)cc6)c(=O)oc35)C=C(C3CC(O)C(O)C(C)O3)C4=O)C=CC2(OC2CC(N(C)C)C(O)C(C)O2)C1| HBA: | 14 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.49 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 759.81 | Num_heavy_atoms: | 55 |
| TPSA: | 216.66 | NumAromaticRings: | 3 |
