Glycoside
...
GD013962

Name:
None

Formula:
C64H104O24N12S4

Smiles:
NC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@H](CSCCOCCSCC(O)CN4C(=O)c5ccc6c7c(ccc(c57)C4=O)C(=O)N(CC(O)CSCCOCCSC[C@@H]4O[C@H](O[C@H]5[C@H](N)C[C@@H](N)[C@@H](O[C@@H]7O[C@H](CN)[C@H](O)C[C@H]7N)[C@H]5O)[C@H](O)[C@H](N)[C@H]4O)C6=O)[C@H](O)[C@H](N)[C@H]3O)[C@@H](N)C[C@H]2N)[C@H](N)C[C@H]1O

Aglycone:
CSCCOCCSCC(O)CN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CC(O)CSCCOCCSC)C3=O.NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1O.NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1O

Sugarmoiety:
NC1C(O)C(O)OC(O)C1O.NC1C(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 36 RingCount: 10
HBD: 30 FractionCSP3: 0.78
AlogP: -8.83 Num_rotatable_bonds: 34
MolWt: 1553.86 Num_heavy_atoms: 104
TPSA: 629.56 NumAromaticRings: 2

Unique Aglycone
AD02993
Formula: C12H26O5N4

Smiles:
NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1O
HBA: 9 RingCount: 2
HBD: 11 FractionCSP3: 1.0
AlogP: -4.09 Num_rotatable_bonds: 3
MolWt: 306.36 Num_heavy_atoms: 21
TPSA: 183.23 NumAromaticRings: 0
AD10347
Formula: C30H38O8N2S4

Smiles:
CSCCOCCSCC(O)CN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CC(O)CSCCOCCSC)C3=O
HBA: 10 RingCount: 4
HBD: 2 FractionCSP3: 0.53
AlogP: 2.98 Num_rotatable_bonds: 20
MolWt: 682.91 Num_heavy_atoms: 44
TPSA: 133.68 NumAromaticRings: 2

Sugarmoiety
SD01874

NC1C(O)C(O)OC(O)C1O.NC1C(O)C(O)OC(O)C1O