Glycoside
GD009854
Name:
NoneFormula:
C60H96O12N4Smiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]2O)[C@H](CCN2CC(C)CC(C)C2)C[C@H](C)C(=NOCCCCc2ccc3ncccc3c2)C=CC(C)=CC1CO[C@@H]1C[C@H](C)[C@H](O)[C@H](OC)[C@H]1OCAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CC(C)CC(C)C2)CC(C)C(=NOCCCCc2ccc3ncccc3c2)C=CC(C)=CC1COC1CC(C)C(O)C(OC)C1OCSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 7.38 | Num_rotatable_bonds: | 18 |
| MolWt: | 1065.44 | Num_heavy_atoms: | 76 |
| TPSA: | 194.33 | NumAromaticRings: | 2 |
Unique Aglycone
AD07689
Formula: C52H81O9N3
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CC(C)CC(C)C2)CC(C)C(=NOCCCCc2ccc3ncccc3c2)C=CC(C)=CC1COC1CC(C)C(O)C(OC)C1OC| HBA: | 12 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 7.96 | Num_rotatable_bonds: | 15 |
| MolWt: | 892.23 | Num_heavy_atoms: | 64 |
| TPSA: | 152.4 | NumAromaticRings: | 2 |
