Glycoside
GD135824
Name:
31-34Formula:
C76H120O36N11ClSmiles:
CC=C(N=C(O)C(N=C(O)C(N=C(O)C(N=C(O)C(N=C(O)C(O)C(CCCCCCCCCC(Cl)CCC)OC1OCC(O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C1O)C(C)O)C(C)O)C(C)O)C(O)c1ccc(O)cc1)C(O)=NC(CCC(=N)O)C(O)=NCC(=O)N(C)C(C(O)=NC(CCC(=N)O)C(=O)O)C(C)OC1OC(CO)C(O)C(O)C1OAglycone:
CC=C(N=C(O)C(N=C(O)C(N=C(O)C(N=C(O)C(N=C(O)C(O)C(O)CCCCCCCCCC(Cl)CCC)C(C)O)C(C)O)C(C)O)C(O)c1ccc(O)cc1)C(O)=NC(CCC(=N)O)C(O)=NCC(=O)N(C)C(C(O)=NC(CCC(=N)O)C(=O)O)C(C)OSugarmoiety:
O=C(O)C1OC(OC2C(O)COC(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 47 | RingCount: | 4 |
| HBD: | 29 | FractionCSP3: | 0.72 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 52 |
| MolWt: | 1787.28 | Num_heavy_atoms: | 123 |
| TPSA: | 802.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD54915
Formula: C59H94O21N11Cl
Smiles:
CC=C(N=C(O)C(N=C(O)C(N=C(O)C(N=C(O)C(N=C(O)C(O)C(O)CCCCCCCCCC(Cl)CCC)C(C)O)C(C)O)C(C)O)C(O)c1ccc(O)cc1)C(O)=NC(CCC(=N)O)C(O)=NCC(=O)N(C)C(C(O)=NC(CCC(=N)O)C(=O)O)C(C)O| HBA: | 32 | RingCount: | 1 |
| HBD: | 21 | FractionCSP3: | 0.66 |
| AlogP: | 4.9 | Num_rotatable_bonds: | 44 |
| MolWt: | 1316.9 | Num_heavy_atoms: | 91 |
| TPSA: | 568.33 | NumAromaticRings: | 1 |
