Glycoside
...
GD003194

Name:
None

Formula:
C60H91O15N11

Smiles:
CCC(C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)NC1OC(CO)C(O)C(O)C1O)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1

Aglycone:
CCC(C)C(NC(=O)C(CC(O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)N(C)C(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)C(CC(N)=O)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1

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

Other Identifiers

Properties
HBA: 26 RingCount: 5
HBD: 12 FractionCSP3: 0.63
AlogP: 0.49 Num_rotatable_bonds: 29
MolWt: 1206.45 Num_heavy_atoms: 86
TPSA: 376.4 NumAromaticRings: 3

Unique Aglycone
AD02922
Formula: C54H81O10N11

Smiles:
CCC(C)C(NC(=O)C(CC(O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)N(C)C(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)C(CC(N)=O)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1
HBA: 21 RingCount: 4
HBD: 9 FractionCSP3: 0.59
AlogP: 3.06 Num_rotatable_bonds: 27
MolWt: 1044.31 Num_heavy_atoms: 75
TPSA: 300.24 NumAromaticRings: 3

Sugarmoiety
SD00003

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