Glycoside
...
GD022763

Name:
None

Formula:
C84H107O26N19

Smiles:
Cc1c(C(=O)NCCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)NCC(N)=O)c(O)cc2c1C(=O)c1c(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(O)c(O)c1C2=O

Aglycone:
Cc1c(C(=O)NCCC(=O)NCCCCC(NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CO)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2cnc[nH]2)NC(=O)C2CCC(=O)N2)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N2CCCC2C(=O)NCC(N)=O)c(O)cc2c1C(=O)c1c(O)cc(O)c(O)c1C2=O

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

Other Identifiers

Properties
HBA: 45 RingCount: 10
HBD: 29 FractionCSP3: 0.46
AlogP: -5.28 Num_rotatable_bonds: 42
MolWt: 1798.89 Num_heavy_atoms: 129
TPSA: 735.54 NumAromaticRings: 6

Unique Aglycone
AD15394
Formula: C78H97O21N19

Smiles:
Cc1c(C(=O)NCCC(=O)NCCCCC(NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CO)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2cnc[nH]2)NC(=O)C2CCC(=O)N2)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N2CCCC2C(=O)NCC(N)=O)c(O)cc2c1C(=O)c1c(O)cc(O)c(O)c1C2=O
HBA: 40 RingCount: 9
HBD: 25 FractionCSP3: 0.42
AlogP: -2.8 Num_rotatable_bonds: 40
MolWt: 1636.75 Num_heavy_atoms: 118
TPSA: 645.39 NumAromaticRings: 6

Sugarmoiety
SD00003

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