Glycoside
...
GD010310

Name:
None

Formula:
C56H77O16N13S2

Smiles:
CC(=O)NCSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](N)Cc1ccccc1)c1ccc(O)cc1)C(=O)N[C@H](C(=O)NC1OC(C(N)=O)C(O)C(O)C1O)[C@H](C)O

Aglycone:
CC(=O)NCSCC(NC(=O)C(N)Cc1ccccc1)C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)NC(CSCNC(C)=O)C(=O)NC(C(N)=O)C(C)O)c1ccc(O)cc1

Sugarmoiety:
NC(=O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 29 RingCount: 5
HBD: 21 FractionCSP3: 0.46
AlogP: -4.16 Num_rotatable_bonds: 33
MolWt: 1252.44 Num_heavy_atoms: 87
TPSA: 483.2 NumAromaticRings: 4

Unique Aglycone
AD07985
Formula: C50H68O11N12S2

Smiles:
CC(=O)NCSCC(NC(=O)C(N)Cc1ccccc1)C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)NC(CSCNC(C)=O)C(=O)NC(C(N)=O)C(C)O)c1ccc(O)cc1
HBA: 23 RingCount: 4
HBD: 17 FractionCSP3: 0.42
AlogP: -1.08 Num_rotatable_bonds: 31
MolWt: 1077.3 Num_heavy_atoms: 75
TPSA: 384.18 NumAromaticRings: 4

Sugarmoiety
SD00554

NC(=O)C1OC(O)C(O)C(O)C1O