Glycoside
GD002582
Name:
NoneFormula:
C60H95O21N19S2Smiles:
CCCCNCCCNCCCNC(=O)c1csc(-c2csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c3C)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(OC(N)=O)C3O)c3c[nH]cn3)C(C)O)n2)n1Aglycone:
CCCCNCCCNCCCNC(=O)c1csc(-c2csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c3C)C(O)c3c[nH]cn3)C(C)O)n2)n1Sugarmoiety:
NC(=O)OC1C(O)C(CO)OC(OC2C(O)OC(CO)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 40 | RingCount: | 6 |
| HBD: | 27 | FractionCSP3: | 0.65 |
| AlogP: | -7.21 | Num_rotatable_bonds: | 42 |
| MolWt: | 1482.67 | Num_heavy_atoms: | 102 |
| TPSA: | 651.13 | NumAromaticRings: | 4 |
Unique Aglycone
AD02449
Formula: C47H74O10N18S2
Smiles:
CCCCNCCCNCCCNC(=O)c1csc(-c2csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c3C)C(O)c3c[nH]cn3)C(C)O)n2)n1| HBA: | 28 | RingCount: | 4 |
| HBD: | 20 | FractionCSP3: | 0.57 |
| AlogP: | -2.96 | Num_rotatable_bonds: | 35 |
| MolWt: | 1115.36 | Num_heavy_atoms: | 77 |
| TPSA: | 460.74 | NumAromaticRings: | 4 |
