Glycoside
GD016560
Name:
NoneFormula:
C37H45O15NSmiles:
COC1C(C)OC(OC2CC(C)(O)Cc3cc4c(c(O)c32)C(=O)c2c(O)cc3c(c2C4=O)OC2OC3(C)C(O)C(N(C)C=O)C2O)C(OC)C1(C)OCAglycone:
CN(C=O)C1C(O)C2Oc3c(cc(O)c4c3C(=O)c3cc5c(c(O)c3C4=O)C(O)CC(C)(O)C5)C(C)(O2)C1OSugarmoiety:
COC1C(C)OC(O)C(OC)C1(C)OCOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 743.76 | Num_heavy_atoms: | 53 |
| TPSA: | 220.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD11906
Formula: C27H27O11N
Smiles:
CN(C=O)C1C(O)C2Oc3c(cc(O)c4c3C(=O)c3cc5c(c(O)c3C4=O)C(O)CC(C)(O)C5)C(C)(O2)C1O| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 541.51 | Num_heavy_atoms: | 39 |
| TPSA: | 194.29 | NumAromaticRings: | 2 |
