Glycoside
...
GD008141

Name:
None

Formula:
C74H65O24N7S

Smiles:
COC(=O)[C@@H]1NC(=O)[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@@H]4NC(=O)[C@H](NC(=O)[C@H](n5cc6ccccc6c5S[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)c5ccc(O)c(c5)Oc5cc4cc(O)c5C)[C@H](O)c4ccc(cc4)Oc4cc3cc(c4O)Oc3ccc(cc3)[C@H]2O)c2ccc(O)c(c2)-c2c(O)cc(O)cc21

Aglycone:
COC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(NC(=O)C(n5cc6ccccc6c5S)c5ccc(O)c(c5)Oc5cc4cc(O)c5C)C(O)c4ccc(cc4)Oc4cc3cc(c4O)Oc3ccc(cc3)C2O)c2ccc(O)c(c2)-c2c(O)cc(O)cc21

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 31 RingCount: 16
HBD: 18 FractionCSP3: 0.23
AlogP: 4.0 Num_rotatable_bonds: 5
MolWt: 1468.43 Num_heavy_atoms: 106
TPSA: 485.51 NumAromaticRings: 9

Unique Aglycone
AD06541
Formula: C68H55O19N7S

Smiles:
COC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(NC(=O)C(n5cc6ccccc6c5S)c5ccc(O)c(c5)Oc5cc4cc(O)c5C)C(O)c4ccc(cc4)Oc4cc3cc(c4O)Oc3ccc(cc3)C2O)c2ccc(O)c(c2)-c2c(O)cc(O)cc21
HBA: 26 RingCount: 15
HBD: 14 FractionCSP3: 0.16
AlogP: 6.4 Num_rotatable_bonds: 2
MolWt: 1306.29 Num_heavy_atoms: 95
TPSA: 395.36 NumAromaticRings: 9

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O