Glycoside

GD007655
Name:
NoneFormula:
C47H76O12N4Smiles:
CC(=O)N[C@@H]1C(O)O[C@H](COC(=O)[C@@H]2CC[C@]3(C)C(=CC[C@H]4[C@@H]5CC[C@@H]([C@H](C)CCCC(C)C)[C@]5(C)CC[C@H]43)C2)[C@H](O)[C@H]1O[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)O)C(N)=OAglycone:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(N)=O.COC(=O)C1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 16 | RingCount: | 5 |
HBD: | 8 | FractionCSP3: | 0.83 |
AlogP: | 3.88 | Num_rotatable_bonds: | 19 |
MolWt: | 889.14 | Num_heavy_atoms: | 63 |
TPSA: | 252.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD00987
Formula: C11H19O6N3
Smiles:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(N)=OHBA: | 9 | RingCount: | 0 |
HBD: | 6 | FractionCSP3: | 0.64 |
AlogP: | -2.29 | Num_rotatable_bonds: | 8 |
MolWt: | 289.29 | Num_heavy_atoms: | 20 |
TPSA: | 158.82 | NumAromaticRings: | 0 |
AD06207
Formula: C29H48O2
Smiles:
COC(=O)C1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1HBA: | 2 | RingCount: | 4 |
HBD: | 0 | FractionCSP3: | 0.9 |
AlogP: | 7.82 | Num_rotatable_bonds: | 6 |
MolWt: | 428.7 | Num_heavy_atoms: | 31 |
TPSA: | 26.3 | NumAromaticRings: | 0 |