Glycoside
...
GD009763

Name:
None

Formula:
C105H173O29N35

Smiles:
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)CN(CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)C(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CN)[C@H](C)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)C

Aglycone:
CCC(C)C(NC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C(CO)NC(=O)CN(CCO)C(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)CN)C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)O)C(C)C

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

Other Identifiers

Properties
HBA: 64 RingCount: 8
HBD: 41 FractionCSP3: 0.69
AlogP: -12.22 Num_rotatable_bonds: 67
MolWt: 2389.75 Num_heavy_atoms: 169
TPSA: 1005.62 NumAromaticRings: 2

Unique Aglycone
AD07630
Formula: C97H160O24N34

Smiles:
CCC(C)C(NC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C(CO)NC(=O)CN(CCO)C(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)CN)C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)O)C(C)C
HBA: 58 RingCount: 7
HBD: 38 FractionCSP3: 0.67
AlogP: -10.19 Num_rotatable_bonds: 63
MolWt: 2186.56 Num_heavy_atoms: 155
TPSA: 917.6 NumAromaticRings: 2

Sugarmoiety
SD00014

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