Glycoside
GD135899
Name:
NoneFormula:
C75H112O34N4Smiles:
COC(=O)C1c2cc3c(c(O)c2C(OC2CC(N(C)C)C(OC4CC(O)C(OC5CC(C)([NH+]([O-])O)C(OC6CC(O)C(O)C(C)O6)C(C)O5)C(C)O4)C(C)O2)CC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(OC2CC(O)C(OC3CC(C)([NH+]([O-])O)C(OC4CC(O)C(O)C(C)O4)C(C)O3)C(C)O2)C(N(C)C)C1OAglycone:
CC1OC(O)CC(C)([NH+]([O-])O)C1O.CC1OC(O)CC(C)([NH+]([O-])O)C1O.COC(=O)C1c2cc3c(c(O)c2C(OC2CC(N(C)C)C(O)C(C)O2)CC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(O)C(N(C)C)C1OSugarmoiety:
CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 38 | RingCount: | 13 |
| HBD: | 14 | FractionCSP3: | 0.8 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 19 |
| MolWt: | 1613.71 | Num_heavy_atoms: | 113 |
| TPSA: | 512.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD49329
Formula: C7H15O5N
Smiles:
CC1OC(O)CC(C)([NH+]([O-])O)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 193.2 | Num_heavy_atoms: | 13 |
| TPSA: | 97.42 | NumAromaticRings: | 0 |
AD54940
Formula: C37H46O14N2
Smiles:
COC(=O)C1c2cc3c(c(O)c2C(OC2CC(N(C)C)C(O)C(C)O2)CC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(O)C(N(C)C)C1O| HBA: | 16 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 742.78 | Num_heavy_atoms: | 53 |
| TPSA: | 225.22 | NumAromaticRings: | 2 |
