Glycoside
...
GD003584

Name:
RAMORELIX

Formula:
C75H95O18N16Cl

Smiles:
CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CO[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O

Aglycone:
CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc(Cl)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NNC(N)=O

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 34 RingCount: 8
HBD: 22 FractionCSP3: 0.43
AlogP: -1.31 Num_rotatable_bonds: 35
MolWt: 1532.12 Num_heavy_atoms: 109
TPSA: 534.63 NumAromaticRings: 6

Unique Aglycone
AD03242
Formula: C69H85O14N16Cl

Smiles:
CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc(Cl)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NNC(N)=O
HBA: 30 RingCount: 7
HBD: 20 FractionCSP3: 0.38
AlogP: -0.17 Num_rotatable_bonds: 33
MolWt: 1385.98 Num_heavy_atoms: 99
TPSA: 475.71 NumAromaticRings: 6

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O