Glycoside
GD135780
Name:
Jbir-93Formula:
C49H56O15N2Smiles:
CC1CC(=O)C2(O)c3c(c(O)c4c5c(c(-c6c[nH]c7ccccc67)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(-c6c[nH]c7ccccc67)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: | 10 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | 3.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 912.99 | Num_heavy_atoms: | 66 |
| TPSA: | 250.91 | NumAromaticRings: | 4 |
Unique Aglycone
AD54899
Formula: C43H46O12N2
Smiles:
CC1CC(=O)C2(O)c3c(c(O)c4c5c(c(-c6c[nH]c7ccccc67)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: | 9 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 782.84 | Num_heavy_atoms: | 57 |
| TPSA: | 212.22 | NumAromaticRings: | 4 |
