Glycoside
GD013669
Name:
Nsc 265211Formula:
C42H55O17NSmiles:
CC[C@]1(O)C[C@H](OC2CC(N(C)C)C(OC3CC(O)C(OC4CC(O)C(O)C(C)O4)C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@H]1C(=O)OCAglycone:
CCC1(O)CC(OC2CC(N(C)C)C(O)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)OCSugarmoiety:
CC1OC(OC2C(O)CC(O)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 9 |
| MolWt: | 845.89 | Num_heavy_atoms: | 60 |
| TPSA: | 260.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD00816
Formula: C30H35O11N
Smiles:
CCC1(O)CC(OC2CC(N(C)C)C(O)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)OC| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 585.61 | Num_heavy_atoms: | 42 |
| TPSA: | 183.29 | NumAromaticRings: | 2 |
