Glycoside
GD114405
Name:
Acarviostatin Iii0(-1)Formula:
C51H85O32N3Smiles:
CC1OC(O)C(O)C(O)C1NC1C=C(CO)C(OC2OC(CO)C(OC3OC(C)C(NC4C=C(CO)C(OC5OC(CO)C(OC6OC(C)C(NC7C=C(CO)C(O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1OAglycone:
NC1C=C(CO)C(O)C(O)C1O.NC1C=C(CO)C(O)C(O)C1O.NC1C=C(CO)C(O)C(O)C1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 35 | RingCount: | 8 |
| HBD: | 26 | FractionCSP3: | 0.88 |
| AlogP: | -14.9 | Num_rotatable_bonds: | 19 |
| MolWt: | 1252.23 | Num_heavy_atoms: | 86 |
| TPSA: | 584.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD02201
Formula: C7H13O4N
Smiles:
NC1C=C(CO)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 175.18 | Num_heavy_atoms: | 12 |
| TPSA: | 106.94 | NumAromaticRings: | 0 |
Sugarmoiety
SD04363
CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O