Glycoside
GD136851
Name:
gahdp-mmft-4Formula:
C53H85O33N3Smiles:
COC1C(CO)OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(Oc7ccc(CC8N=C(O)C(N=C(O)CN)C8(C)C)cc7)C(O)C6O)C(OC)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1OAglycone:
CC1(C)C(Cc2ccc(O)cc2)N=C(O)C1N=C(O)CNSugarmoiety:
COC1C(CO)OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(O)C(O)C6O)C(OC)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 36 | RingCount: | 8 |
| HBD: | 21 | FractionCSP3: | 0.85 |
| AlogP: | -10.51 | Num_rotatable_bonds: | 24 |
| MolWt: | 1292.25 | Num_heavy_atoms: | 89 |
| TPSA: | 564.33 | NumAromaticRings: | 1 |
Unique Aglycone
AD45135
Formula: C15H21O3N3
Smiles:
CC1(C)C(Cc2ccc(O)cc2)N=C(O)C1N=C(O)CN| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 291.35 | Num_heavy_atoms: | 21 |
| TPSA: | 111.43 | NumAromaticRings: | 1 |
Sugarmoiety
SD06966
COC1C(CO)OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(O)C(O)C6O)C(OC)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O