Glycoside
...
GD034239

Name:
None

Formula:
C96H108O25N8Cl2S2

Smiles:
CCCCCCCCCCCCSC1=C(SCCCCCCCCCCCC)C(=O)N([C@@H]2C(=O)N[C@@H]3Cc4ccc(c(Cl)c4)Oc4cc5cc(c4O)Oc4ccc(cc4Cl)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]4NC(=O)[C@H](NC(O)[C@H]5NC(=O)[C@H](NC3=O)c3cc(O)cc(c3)Oc3cc2ccc3O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2[C@H](C(=O)O)NC4=O)C1=O

Aglycone:
CCCCCCCCCCCCSC1=C(SCCCCCCCCCCCC)C(=O)N(C2C(=O)NC3Cc4ccc(c(Cl)c4)Oc4cc5cc(c4O)Oc4ccc(cc4Cl)C(O)C4NC(=O)C(NC(O)C5NC(=O)C(NC3=O)c3cc(O)cc(c3)Oc3cc2ccc3O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2C(C(=O)O)NC4=O)C1=O

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 33 RingCount: 15
HBD: 18 FractionCSP3: 0.44
AlogP: 12.67 Num_rotatable_bonds: 30
MolWt: 1884.97 Num_heavy_atoms: 131
TPSA: 509.76 NumAromaticRings: 7

Unique Aglycone
AD21785
Formula: C88H95O20N7Cl2S2

Smiles:
CCCCCCCCCCCCSC1=C(SCCCCCCCCCCCC)C(=O)N(C2C(=O)NC3Cc4ccc(c(Cl)c4)Oc4cc5cc(c4O)Oc4ccc(cc4Cl)C(O)C4NC(=O)C(NC(O)C5NC(=O)C(NC3=O)c3cc(O)cc(c3)Oc3cc2ccc3O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2C(C(=O)O)NC4=O)C1=O
HBA: 27 RingCount: 14
HBD: 15 FractionCSP3: 0.4
AlogP: 14.71 Num_rotatable_bonds: 26
MolWt: 1681.78 Num_heavy_atoms: 117
TPSA: 421.74 NumAromaticRings: 7

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O