Glycoside
GD000672
Name:
NoneFormula:
C55H81O22N17S2Smiles:
Cc1c(N)nc(C2CC(=O)N2CC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCNCC(C)O)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1c[nH]cn1Aglycone:
Cc1c(N)nc(C2CC(=O)N2CC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCNCC(C)O)cs2)cs1)C(C)O)C(O)c1c[nH]cn1Sugarmoiety:
NC(=O)OC1C(O)C(CO)OC(OC2C(O)OC(CO)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 39 | RingCount: | 7 |
| HBD: | 24 | FractionCSP3: | 0.62 |
| AlogP: | -8.23 | Num_rotatable_bonds: | 33 |
| MolWt: | 1396.48 | Num_heavy_atoms: | 96 |
| TPSA: | 624.52 | NumAromaticRings: | 4 |
Unique Aglycone
AD00725
Formula: C42H60O11N16S2
Smiles:
Cc1c(N)nc(C2CC(=O)N2CC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCNCC(C)O)cs2)cs1)C(C)O)C(O)c1c[nH]cn1| HBA: | 27 | RingCount: | 5 |
| HBD: | 17 | FractionCSP3: | 0.52 |
| AlogP: | -3.99 | Num_rotatable_bonds: | 26 |
| MolWt: | 1029.18 | Num_heavy_atoms: | 71 |
| TPSA: | 434.13 | NumAromaticRings: | 4 |
