Glycoside
GD010208
Name:
NoneFormula:
C67H96O17N12S2Smiles:
CCCCCCCCCCCCC(NC(=O)CCC(=O)NC1OC(O)C(O)C(O)C1O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CSSC[C@H](C(=O)N[C@H](C(N)=O)[C@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(c2ccc(O)cc2)NC1=OAglycone:
CCCCCCCCCCCCC(NC(=O)CCC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)NC1CSSCC(C(=O)NC(C(N)=O)C(C)O)NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(c2ccc(O)cc2)NC1=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 29 | RingCount: | 6 |
| HBD: | 20 | FractionCSP3: | 0.55 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 33 |
| MolWt: | 1405.71 | Num_heavy_atoms: | 98 |
| TPSA: | 477.41 | NumAromaticRings: | 4 |
Unique Aglycone
AD07926
Formula: C62H88O12N12S2
Smiles:
CCCCCCCCCCCCC(NC(=O)CCC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)NC1CSSCC(C(=O)NC(C(N)=O)C(C)O)NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(c2ccc(O)cc2)NC1=O| HBA: | 24 | RingCount: | 5 |
| HBD: | 17 | FractionCSP3: | 0.52 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 32 |
| MolWt: | 1257.59 | Num_heavy_atoms: | 88 |
| TPSA: | 401.25 | NumAromaticRings: | 4 |
