Glycoside
GD133817
Name:
1050-da maaFormula:
C45H70O24N4Smiles:
COC1=C(NC(CCCN=C2CC(O)(COC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C=C(NCCCC(NC3=C(OC)C(=O)CC(O)(CO)C3)C(=O)O)C2OC)C(=O)O)CC(O)(CO)CC1=OAglycone:
COC1=C(NC(CCCN=C2CC(O)(CO)C=C(NCCCC(NC3=C(OC)C(=O)CC(O)(CO)C3)C(=O)O)C2OC)C(=O)O)CC(O)(CO)CC1=OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 5 |
| HBD: | 16 | FractionCSP3: | 0.76 |
| AlogP: | -6.13 | Num_rotatable_bonds: | 26 |
| MolWt: | 1051.06 | Num_heavy_atoms: | 73 |
| TPSA: | 444.33 | NumAromaticRings: | 0 |
Unique Aglycone
AD54145
Formula: C34H52O15N4
Smiles:
COC1=C(NC(CCCN=C2CC(O)(CO)C=C(NCCCC(NC3=C(OC)C(=O)CC(O)(CO)C3)C(=O)O)C2OC)C(=O)O)CC(O)(CO)CC1=O| HBA: | 19 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.68 |
| AlogP: | -2.42 | Num_rotatable_bonds: | 21 |
| MolWt: | 756.8 | Num_heavy_atoms: | 53 |
| TPSA: | 306.26 | NumAromaticRings: | 0 |
