Glycoside
GD012724
Name:
NoneFormula:
C68H100O17N14S2Smiles:
CCCCCCCCCCC(N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CSCNC(C)=O)C(=O)NC(C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CSCNC(C)=O)C(=O)N[C@H](C(=O)NC1OC(C(N)=O)C(O)C(O)C1O)[C@H](C)O)c1ccc(O)cc1Aglycone:
CCCCCCCCCCC(N)C(=O)NC(Cc1ccccc1)C(=O)NC(CSCNC(C)=O)C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)NC(CSCNC(C)=O)C(=O)NC(C(N)=O)C(C)O)c1ccc(O)cc1Sugarmoiety:
NC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 31 | RingCount: | 5 |
| HBD: | 22 | FractionCSP3: | 0.54 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 44 |
| MolWt: | 1449.76 | Num_heavy_atoms: | 101 |
| TPSA: | 512.3 | NumAromaticRings: | 4 |
Unique Aglycone
AD09562
Formula: C62H91O12N13S2
Smiles:
CCCCCCCCCCC(N)C(=O)NC(Cc1ccccc1)C(=O)NC(CSCNC(C)=O)C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)NC(CSCNC(C)=O)C(=O)NC(C(N)=O)C(C)O)c1ccc(O)cc1| HBA: | 25 | RingCount: | 4 |
| HBD: | 18 | FractionCSP3: | 0.52 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 42 |
| MolWt: | 1274.62 | Num_heavy_atoms: | 89 |
| TPSA: | 413.28 | NumAromaticRings: | 4 |
