Glycoside
...
GD036912

Name:
None

Formula:
C77H64O24N10Cl2

Smiles:
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1c2ccc(c(Cl)c2)Oc2cc3cc(c2O)Oc2ccc(cc2Cl)C[C@@H]2NC(=O)[C@H](n4cc(COc5ccccc5)nn4)c4ccc(O)c(c4)Oc4cc(O)cc(c4)[C@H](NC2=O)C(=O)N[C@H]3C(=O)N[C@@H]2C(=O)N[C@H]1C(=O)N[C@H](C(=O)O)c1cc(O)cc(O)c1-c1cc2ccc1O

Aglycone:
O=C1NC2C(=O)NC3C(=O)NC4C(=O)NC(C(=O)NC(C(=O)O)c5cc(O)cc(O)c5-c5cc4ccc5O)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3Cl)CC1NC(=O)C(n1cc(COc3ccccc3)nn1)c1ccc(O)c(c1)Oc1cc(O)cc2c1

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

Other Identifiers

Properties
HBA: 34 RingCount: 16
HBD: 17 FractionCSP3: 0.23
AlogP: 4.71 Num_rotatable_bonds: 9
MolWt: 1560.29 Num_heavy_atoms: 111
TPSA: 509.16 NumAromaticRings: 9

Unique Aglycone
AD23271
Formula: C69H51O19N9Cl2

Smiles:
O=C1NC2C(=O)NC3C(=O)NC4C(=O)NC(C(=O)NC(C(=O)O)c5cc(O)cc(O)c5-c5cc4ccc5O)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3Cl)CC1NC(=O)C(n1cc(COc3ccccc3)nn1)c1ccc(O)c(c1)Oc1cc(O)cc2c1
HBA: 28 RingCount: 15
HBD: 14 FractionCSP3: 0.15
AlogP: 6.74 Num_rotatable_bonds: 5
MolWt: 1357.1 Num_heavy_atoms: 97
TPSA: 421.14 NumAromaticRings: 9

Sugarmoiety
SD00014

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